 Entering Gaussian System, Link 0=g16
 Input=21_phenylethanol_conformer05_STD_wB97XD_def2SVPD.in
 Output=21_phenylethanol_conformer05_STD_wB97XD_def2SVPD.log
 AtFile(1): /user/pierpa/basis_sets/def2SVPD.gbs
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                  0.28148150384D-01      1.0000000
            D    4   1.00
                 19.240334928            0.27039082144D-01
                  5.1178995899           0.13803684743
                  1.6554278827           0.34869086403
                  0.54016355610          0.48594185717
            D    1   1.00
                  0.16211214518           .34374449689
            F    1   1.00
                  0.3450000              1.0000000
            ****
            -Ti     0
            S    6   1.00
              42961.5121850              0.39127635355D-02
               6450.9759169              0.29969820489D-01
               1467.7210915              0.14836352707
                414.20997355             0.51347285324
                134.48715840             1.0335365483
                 46.122209796            0.77854233930
            S    3   1.00
                 89.447762543           -0.28385401259
                 10.223346060            1.6772785333
                  4.1353774271           1.2411928456
            S    3   1.00
                  6.7896181452          -0.78399994518D-02
                  1.1106730691           0.25495493019D-01
                  0.47565975578          0.16061172892D-01
            S    1   1.00
                  0.65986956934D-01      1.0000000
            S    1   1.00
                  0.25210342250D-01      1.0000000
            P    5   1.00
                522.03684782             0.19754179642D-01
                122.68649489             0.14460677619
                 38.572903611            0.54669004165
                 13.672169319            1.0531647540
                  5.0118529359           0.69111213363
            P    3   1.00
                  2.4131928282           0.75803437136
                  0.93252270050          1.3036241399
                  0.35429058390          0.53638653300
            P    1   1.00
                  0.1015610              1.0000000
            P    1   1.00
                  0.35788253200D-01      1.0000000
            D    4   1.00
                 23.465125957            0.26536380115D-01
                  6.3332593832           0.13796453963
                  2.0766489946           0.35312644228
                  0.69027361954          0.48647124166
            D    1   1.00
                  0.21088738554           .33026314258
            F    1   1.00
                  0.5620000              1.0000000
            ****
            -V     0
            S    6   1.00
              47160.3760600              0.14498688908D-02
               7081.4110871              0.11106435251D-01
               1611.1621223              0.55005423585D-01
                454.72940551             0.19060252591
                147.71321208             0.38435022957
                 50.699538950            0.29095546792
            S    3   1.00
                 98.262492669           -0.10942337856
                 11.294293099            0.64539490399
                  4.5853360105           0.47117880777
            S    3   1.00
                  7.6359689588          -0.22454949054
                  1.2539836689           0.72594852764
                  0.53271935387          0.45560582748
            S    1   1.00
                  0.72246239566D-01      1.0000000
            S    1   1.00
                  0.27358087448D-01      1.0000000
            P    5   1.00
                580.55044988             0.97315110917D-02
                136.52341127             0.71531241137D-01
                 42.983958820            0.27197688414
                 15.282798763            0.52618988893
                  5.6202495154           0.34452533498
            P    3   1.00
                  2.7485386415           0.34040396496
                  1.0618550073           0.57983996120
                  0.40235518645          0.23911643083
            P    1   1.00
                  0.1112480              1.0000000
            P    1   1.00
                  0.35000888460D-01      1.0000000
            D    4   1.00
                 27.358434017            0.26641927050D-01
                  7.4540604253           0.13995311726
                  2.4633917847           0.35751066639
                  0.82480925277          0.48488354148
            D    1   1.00
                  0.25257904742           .32332844995
            F    1   1.00
                  0.8310000              1.0000000
            ****
            -Cr     0
            S    6   1.00
              51528.0863490              0.14405823106D-02
               7737.2103487              0.11036202287D-01
               1760.3748470              0.54676651806D-01
                496.87706544             0.18965038103
                161.46520598             0.38295412850
                 55.466352268            0.29090050668
            S    3   1.00
                107.54732999            -0.10932281100
                 12.408671897            0.64472599471
                  5.0423628826           0.46262712560
            S    3   1.00
                  8.5461640165          -0.22711013286
                  1.3900441221           0.73301527591
                  0.56066602876          0.44225565433
            S    1   1.00
                  0.71483705972D-01      1.0000000
            S    1   1.00
                  0.28250687604D-01      1.0000000
            P    5   1.00
                640.48536096             0.96126715203D-02
                150.69711194             0.70889834655D-01
                 47.503755296            0.27065258990
                 16.934120165            0.52437343414
                  6.2409680590           0.34107994714
            P    3   1.00
                  3.0885463206           0.33973986903
                  1.1791047769           0.57272062927
                  0.43369774432          0.24582728206
            P    1   1.00
                  0.1206750              1.0000000
            P    1   1.00
                  0.33978554488D-01      1.0000000
            D    4   1.00
                 27.559479426            0.30612488044D-01
                  7.4687020327           0.15593270944
                  2.4345903574           0.36984421276
                  0.78244754808          0.47071118077
            D    1   1.00
                  0.21995774311           .33941649889
            F    1   1.00
                  1.1470000              1.0000000
            ****
            -Mn     0
            S    6   1.00
              56137.0090370              0.14321304702D-02
               8429.2063943              0.10972509162D-01
               1917.8277233              0.54382468712D-01
                541.36230198             0.18884335129
                176.00069142             0.38198025054
                 60.500477010            0.29156772596
            S    3   1.00
                117.17282882            -0.10933661328
                 13.596973368            0.64305039431
                  5.5483996341           0.45848970584
            S    3   1.00
                  9.4662853530          -0.22538977259
                  1.5595006070           0.72307758657
                  0.65230205868          0.45300721536
            S    1   1.00
                  0.84003734475D-01      1.0000000
            S    1   1.00
                  0.31256098581D-01      1.0000000
            P    5   1.00
                706.00497535             0.95055518167D-02
                166.19728820             0.70356271142D-01
                 52.452061906            0.27005556982
                 18.746932862            0.52574344602
                  6.9282991622           0.34254033223
            P    3   1.00
                  3.4772204938           0.33994073736
                  1.3406906449           0.57203836254
                  0.50498803038          0.23847605831
            P    1   1.00
                  0.1276500              1.0000000
            P    1   1.00
                  0.36336999053D-01      1.0000000
            D    4   1.00
                 35.423264935            0.26985304111D-01
                  9.7814221451           0.14383458648
                  3.2673488767           0.36418958377
                  1.1026472189           0.48152670661
            D    1   1.00
                  0.33743205934           .31458754360
            F    1   1.00
                  1.3260000              1.0000000
            ****
            -Fe     0
            S    6   1.00
              60923.6406430              0.14302254466D-02
               9147.8893982              0.10958790038D-01
               2081.3505927              0.54332554248D-01
                587.55977067             0.18884995009
                191.09043990             0.38253069946
                 65.732730112            0.29308335984
            S    3   1.00
                127.25891928            -0.10964564925
                 14.830913010            0.64387631332
                  6.0653307408           0.45472347323
            S    3   1.00
                 10.449943710           -0.22539639952
                  1.7245228003           0.72164398156
                  0.71772177325          0.44985492922
            S    1   1.00
                  0.91449828308D-01      1.0000000
            S    1   1.00
                  0.33706691021D-01      1.0000000
            P    5   1.00
                773.43750995             0.94325735144D-02
                182.15149714             0.70029620575D-01
                 57.547272758            0.26993651996
                 20.614988935            0.52700011047
                  7.6348557890           0.34284148028
            P    3   1.00
                  3.8719327990           0.33974402988
                  1.4924724132           0.56842594005
                  0.56061284958          0.23649365839
            P    1   1.00
                  0.1349150              1.0000000
            P    1   1.00
                  0.36933633962D-01      1.0000000
            D    4   1.00
                 38.968133419            0.27879664382D-01
                 10.800067078            0.14858319982
                  3.6136457999           0.36905479496
                  1.2129967888           0.47745100883
            D    1   1.00
                  0.36524393170           .31418142304
            F    1   1.00
                  1.5980000              1.0000000
            ****
            -Co     0
            S    6   1.00
              65902.2082570              0.14284614936D-02
               9895.3896027              0.10946072783D-01
               2251.4305789              0.54285953890D-01
                635.61097084             0.18885179079
                206.78820681             0.38301634994
                 71.179242971            0.29443551266
            S    3   1.00
                137.77268040            -0.10990221736
                 16.118079243            0.64455537395
                  6.6030327710           0.45116787924
            S    3   1.00
                 11.479915788           -0.22593846910
                  1.8956426324           0.72231409008
                  0.78466232067          0.44903812296
            S    1   1.00
                  0.98425774432D-01      1.0000000
            S    1   1.00
                  0.35945741932D-01      1.0000000
            P    5   1.00
                843.64358575             0.93866097254D-02
                198.76386994             0.69880208716D-01
                 62.854963098            0.27037070345
                 22.562842280            0.52904786880
                  8.3713209127           0.34357029579
            P    3   1.00
                  4.2858719800           0.34027999036
                  1.6508041817           0.56693392384
                  0.61834231096          0.23617979783
            P    1   1.00
                  0.1413080              1.0000000
            P    1   1.00
                  0.37744197011D-01      1.0000000
            D    4   1.00
                 42.927867612            0.28487788365D-01
                 11.942533053            0.15206951283
                  4.0046495664           0.37310913999
                  1.3413193804           0.47549837676
            D    1   1.00
                  0.40015009743           .31346831424
            F    1   1.00
                  1.9030000              1.0000000
            ****
            -Ni     0
            S    6   1.00
              71074.8032110              0.14260386729D-02
              10672.0209410              0.10928236994D-01
               2428.1389007              0.54212626938D-01
                685.53595148             0.18874768902
                223.10072863             0.38324616985
                 76.842014042            0.29550637144
            S    3   1.00
                148.71122016            -0.11014443059
                 17.459154987            0.64521426988
                  7.1625280665           0.44797838103
            S    3   1.00
                 12.556137125           -0.22645403224
                  2.0735740488           0.72320959286
                  0.85382640602          0.44868026476
            S    1   1.00
                  0.10536766271          1.0000000
            S    1   1.00
                  0.38134087688D-01      1.0000000
            P    5   1.00
                916.73608662             0.93439635610D-02
                216.06139913             0.69737374902D-01
                 68.383914817            0.27073495012
                 24.593843952            0.53078301549
                  9.1392960204           0.34410229438
            P    3   1.00
                  4.7193371746           0.34076082016
                  1.8161849234           0.56580169611
                  0.67840750720          0.23616717361
            P    1   1.00
                  0.1465880              1.0000000
            P    1   1.00
                  0.38905548722D-01      1.0000000
            D    4   1.00
                 47.093832108            0.28982316948D-01
                 13.146463975            0.15494995950
                  4.4170548925           0.37633115111
                  1.4771565078           0.47365096014
            D    1   1.00
                  0.43735921792           .31247837833
            F    1   1.00
                  2.1740000              1.0000000
            ****
            -Cu     0
            S    6   1.00
              76381.3480560              0.14336079896D-02
              11468.7774990              0.10986749865D-01
               2609.4246495              0.54513652465D-01
                736.75033098             0.18990128258
                239.82419958             0.38581959211
                 82.656829252            0.29790607498
            S    3   1.00
                160.13544196            -0.11146778567
                 18.834177695            0.65349301031
                  7.7176595741           0.44770534421
            S    3   1.00
                 13.710846717           -0.22870911122
                  2.2349895670           0.73464423031
                  0.87818360069          0.43273070874
            S    1   1.00
                  0.87187458064D-01      1.0000000
            S    1   1.00
                  0.32969114665D-01      1.0000000
            P    5   1.00
                991.24075782             0.93878498798D-02
                233.69376116             0.70208282458D-01
                 74.020930927            0.27323522220
                 26.664967447            0.53580792728
                  9.9192087478           0.34575794906
            P    3   1.00
                  5.1519553926           0.34229108083
                  1.9638205828           0.56456592484
                  0.71560097037          0.24078584318
            P    1   1.00
                  0.1550650              1.0000000
            P    1   1.00
                  0.38734214974D-01      1.0000000
            D    4   1.00
                 47.335049590            0.32375547758D-01
                 13.161666077            0.16810218684
                  4.3693777244           0.38477707982
                  1.4132925109           0.46147880178
            D    1   1.00
                  0.38878001452           .32388873258
            F    1   1.00
                  2.2330000              1.0000000
            ****
            -Zn     0
            S    6   1.00
              82000.7116290              0.14210764000D-02
              12312.4717770              0.10891499487D-01
               2801.3944193              0.54057188059D-01
                790.99424302             0.18847463904
                257.56551079             0.38346549346
                 88.814933400            0.29723794197
            S    3   1.00
                171.86353716            -0.11051849523
                 20.302534785            0.64607716984
                  8.3464123068           0.44220117322
            S    3   1.00
                 14.847536940           -0.22705309278
                  2.4495029507           0.72433217935
                  0.99845821824          0.44836495592
            S    1   1.00
                  0.11891307937          1.0000000
            S    1   1.00
                  0.42297428760D-01      1.0000000
            P    5   1.00
               1071.5185372              0.92767797235D-02
                252.69712152             0.69541149434D-01
                 80.100829126            0.27156772564
                 28.903393172            0.53401355573
                 10.768899879            0.34501323446
            P    3   1.00
                  5.6446212530           0.34129600164
                  2.1678291347           0.56390521973
                  0.80540898341          0.23676109735
            P    1   1.00
                  0.1624550              1.0000000
            P    1   1.00
                  0.42022716037D-01      1.0000000
            D    4   1.00
                 56.088939191            0.29588869140D-01
                 15.751908917            0.158725714045
                  5.3115812367           0.379762291591
                  1.7737904917           0.468989591719
            D    1   1.00
                  0.51975583665           .309071490776
            F    1   1.00
                  2.6140000              1.0000000
            ****
            -Ga     0
            S    6   1.00
              87842.1262960              0.14271588798D-02
              13189.4964020              0.10938894097D-01
               3000.9482141              0.54308200127D-01
                847.38425966             0.18951055983
                276.00980642             0.38615185918
                 95.216672071            0.30051082719
            S    3   1.00
                184.00703968            -0.11124461963
                 21.827051433            0.64831322918
                  9.0026963761           0.44358383594
            S    3   1.00
                 16.033176938           -0.23014299555
                  2.6707724878           0.72946861516
                  1.1252834170           0.46214976951
            S    1   1.00
                  0.15967608829          1.0000000
            S    1   1.00
                  0.57643044753D-01      1.0000000
            S    1   1.00
                  0.31819812628D-01      1.0000000
            P    5   1.00
               1167.2665844              0.90974021307D-02
                275.38062789             0.68456273343D-01
                 87.375073070            0.26922293888
                 31.597254670            0.53507897882
                 11.824122798            0.35279062760
            P    3   1.00
                  6.2881845133           0.33938244530
                  2.5199853240           0.56871947608
                  1.0169726306           0.27717694939
            P    1   1.00
                  0.24748373604          1.0000000
            P    1   1.00
                  0.66685294163D-01      1.0000000
            D    4   1.00
                 65.354237674            0.27370146382D-01
                 18.504656747            0.15099463976
                  6.3179620632           0.37485328545
                  2.1641389426           0.47510606851
            D    1   1.00
                  0.66693092754           .29843287401
            D    1   1.00
                  0.2070000              1.0000000
            D    1   1.00
                  0.49799390975D-01      1.0000000
            ****
            -Ge     0
            S    6   1.00
              93889.8366420              0.14233976060D-02
              14097.4975280              0.10910795654D-01
               3207.5477309              0.54183705943D-01
                905.76727269             0.18922820349
                295.11014693             0.38612847001
                101.84713141             0.30164050736
            S    3   1.00
                196.56719662            -0.11118770940
                 23.405292522            0.64616007369
                  9.6839116702           0.44188904568
            S    3   1.00
                 17.269736544           -0.23027421375
                  2.8964622160           0.73017169398
                  1.2553621412           0.46197222255
            S    1   1.00
                  0.20213081492          1.0000000
            S    1   1.00
                  0.73867910982D-01      1.0000000
            S    1   1.00
                  0.43410224935D-01      1.0000000
            P    5   1.00
               1259.2085995              0.90115464252D-02
                297.15626382             0.67986841689D-01
                 94.353387522            0.26853856488
                 34.176329677            0.53659649219
                 12.816139615            0.35633514961
            P    3   1.00
                  6.8471029784           0.33900693119
                  2.7717363939           0.56809365264
                  1.1458418175           0.27246539884
            P    1   1.00
                  0.30679631536          1.0000000
            P    1   1.00
                  0.89283644115D-01      1.0000000
            D    4   1.00
                 74.782168177            0.25755860205D-01
                 21.310849759            0.14536816132
                  7.3464792363           0.37134209859
                  2.5656271395           0.48002998436
            D    1   1.00
                  0.81981773070           .28978790744
            D    1   1.00
                  0.2460000              1.0000000
            D    1   1.00
                  0.66328328796D-01      1.0000000
            ****
            -As     0
            S    6   1.00
             100146.5255400              0.14258349617D-02
              15036.8617110              0.10930176963D-01
               3421.2902833              0.54294174610D-01
                966.16965717             0.18976078153
                314.87394026             0.38775195453
                108.70823790             0.30402812040
            S    3   1.00
                209.54238950            -0.11162094204
                 25.038221139            0.64697607762
                 10.390964343            0.44223608673
            S    3   1.00
                 18.555090093           -0.22994190569
                  3.1281217449           0.73319107613
                  1.3884885073           0.45533653943
            S    1   1.00
                  0.24714362141          1.0000000
            S    1   1.00
                  0.91429428670D-01      1.0000000
            S    1   1.00
                  0.55939685220D-01      1.0000000
            P    5   1.00
               1355.6443507              0.89182507898D-02
                319.99929270             0.67454750717D-01
                101.67734092             0.26759772110
                 36.886323845            0.53776844520
                 13.861115909            0.35992570244
            P    3   1.00
                  7.4260666912           0.34036849637
                  3.0316247187           0.57030149334
                  1.2783078340           0.26606170238
            P    1   1.00
                  0.37568503356          1.0000000
            P    1   1.00
                  0.11394805454          1.0000000
            D    4   1.00
                 84.445514539            0.24518402724D-01
                 24.190416102            0.14107454677
                  8.4045015119           0.36875228915
                  2.9808970748           0.48409561362
            D    1   1.00
                  0.97909243359           .28250268781
            D    1   1.00
                  0.2930000              1.0000000
            D    1   1.00
                  0.84097628016D-01      1.0000000
            ****
            -Se     0
            S    6   1.00
             106612.2002700              0.14274889113D-02
              16007.6047010              0.10943525114D-01
               3642.1699707              0.54374171596D-01
               1028.5912993              0.19018092947
                335.30298888             0.38913021696
                115.80129154             0.30620207088
            S    3   1.00
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            ****
            -Sb     0
            S    6   1.00
                372.76139166             0.15878057239D-02
                 22.689478596           -0.15027605583
                 18.391547037            0.35915813039
                  7.6406271414          -0.74805091065
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            S    2   1.00
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            S    1   1.00
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                 10.052739237           -0.41511149340
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            P    1   1.00
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            P    1   1.00
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                 18.504059617           -0.54952972010D-02
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                  1.7142196009           0.51273377761
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            D    1   1.00
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            ****
            -Te     0
            S    6   1.00
                396.47954659             0.26307731203D-02
                 21.919773309           -0.13203517066
                 18.061271390            0.36203197834
                  8.1403463241          -0.75591120276
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            S    2   1.00
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            S    1   1.00
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            S    1   1.00
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                 10.433943171           -0.41205302672
                  1.3623024763           0.78760578076
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                 18.884095378           -0.35221408938D-02
                  4.2527304630           0.28254216065
                  1.8757557092           0.52039372916
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            D    1   1.00
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            D    1   1.00
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            ****
            -I     0
            S    6   1.00
                445.90489176             0.20037290389D-02
                 23.336842412           -0.14989397324
                 19.583446104            0.36436474913
                  8.5112089186          -0.75538138199
                  2.1996161861           0.82816359356
                  1.0668970454           0.42161048110
            S    2   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
                 20.499027254            0.77159335656D-01
                 10.558754576           -0.38370372780
                  1.5015895485           0.83554174719
                  0.64597173095          0.16787259488
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                 51.235354920            0.40345130346D-02
                 15.616239482           -0.50768108881D-02
                  4.5266002139           0.29151065356
                  2.0529808766           0.51145783605
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            D    1   1.00
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            D    1   1.00
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            ****
            -Xe     0
            S    5   1.00
               6420.2481656              0.25092173886D-03
                983.54530664             0.16251948178D-02
                219.43881364             0.46037106451D-02
                 23.012587807           -0.14698707182
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            S    2   1.00
                 11.752550163            0.66038420156
                  6.2390917199           0.38470524721
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
                 13.960683826           -0.50950157807D-01
                  4.0928947097           0.36669211800
                  2.2546815460           0.72619456861
                  1.1546596184           0.35555871740
            P    3   1.00
                193.81432545             0.95394802497D-03
                 21.725228086            0.57393353332D-01
                  9.8891605641          -0.27974266640
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    6   1.00
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                 38.727062692            0.60897654151D-02
                 15.377328089           -0.92782985596D-02
                  5.2602537686           0.22890785589
                  2.6590627424           0.44434407051
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            D    1   1.00
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            ****
            -Cs     0
            S    3   1.00
                  5.8778113443           0.12859994983
                  4.3631538286          -0.34632569725
                  1.8048475155           0.69930637051
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  1.9656663360          -0.25019961976
                  0.47689195212          0.55660850066
                  0.21529749588          0.58218553406
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    1   1.00
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            D    1   1.00
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            ****
            -Ba     0
            S    3   1.00
                  2.3961900000          -5.9554766710
                  2.2433050000           6.6805648241
                  0.71740200000         -0.57055347037
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  2.5207180000          -1.0707548832
                  0.67578180854          0.34940781448
                  0.31985844531          0.65041110673
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.1038910              0.4732600
            D    1   1.00
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            F    4   1.00
                 10.00                   0.073
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                  1.00                   0.350
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            ****
            -La     0
            S    2   1.00
                  5.0873990000          -0.44173707857
                  4.2709780000           0.85812489720
            S    1   1.00
                  2.1823803999           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  2.3820950000           0.51718364643673D+00
                  0.67246658081         -0.44823115995325D+00
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.89049882672          0.25137236211233D+00
                  0.32947291040          0.44604068239531D+00
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            D    1   1.00
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            ****
            -Hf     0
            S    2   1.00
                 14.592485000           -0.80196298812
                 11.547491000            1.5261602829
            S    1   1.00
                  4.9112973928           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  5.9599790000          -0.83713508620273
                  1.0921117054           0.50570506286223
                  0.49702823217          0.51965388690539
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  1.3077987772           0.18409232564002
                  0.53272310298          0.41484423515705
                  0.20564954488          0.44224303496859
            D    1   1.00
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            F    1   1.00
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            ****
            -Ta     0
            S    2   1.00
                 14.400000000            0.99343296745
                 12.000000000           -1.6510077975
            S    1   1.00
                  5.0701477302           1.0000000
            S    1   1.00
                  0.86033356487          1.0000000
            S    1   1.00
                  0.37158938894          1.0000000
            S    1   1.00
                  0.10745336254          1.0000000
            S    1   1.00
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                  5.6984100000          -0.46968874449
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                  0.54478533555          0.52298161137
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.61042908544          0.42959071631
                  0.24216276510          0.43497228231503D+00
            D    1   1.00
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            ****
            -W     0
            S    2   1.00
                 15.000000000           -0.53315505392
                 12.000000000            1.0014141748
            S    1   1.00
                  5.2610967725           1.0000000
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                  0.11585976646          1.0000000
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                  6.0848760000          -0.66720686321
                  1.2523777812           0.52090351989
                  0.58569208922          0.51885687511
            P    1   1.00
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            D    4   1.00
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                  0.69187452392          0.44121676843
                  0.27865835325          0.43158409241461D+00
            D    1   1.00
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            ****
            -Re     0
            S    2   1.00
                 14.781862000           -1.1395193885
                 12.324075000            1.9371421121
            S    1   1.00
                  5.5098597284           1.0000000
            S    1   1.00
                  0.98874104687          1.0000000
            S    1   1.00
                  0.42833312030          1.0000000
            S    1   1.00
                  0.12296804533          1.0000000
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            P    4   1.00
                  7.4040050000           0.54510937865
                  6.3502060000          -0.76096056536
                  1.3311713455           0.53252276765
                  0.62659600547          0.51483045040
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.78702048429          0.45160766937
                  0.32069843172          0.43261236265745D+00
            D    1   1.00
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                  0.4898900              1.0000000
            ****
            -Os     0
            S    2   1.00
                 15.286736000           -1.0647114485
                 12.700638000            1.8433193269
            S    1   1.00
                  5.7094832504           1.0000000
            S    1   1.00
                  1.0689228744           1.0000000
            S    1   1.00
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            S    1   1.00
                  0.13253456992          1.0000000
            S    1   1.00
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            P    4   1.00
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                  6.3036410000          -0.56379438345
                  1.4351579676           0.52360040577
                  0.68442749722          0.52445339821
            P    1   1.00
                  0.28347394974          1.0000000
            P    1   1.00
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            P    1   1.00
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            D    4   1.00
                  3.5808150000          -0.42773932262
                  3.1961650000           0.44501403992
                  1.0550226354           0.43689459722
                  0.41588406618          0.48220605798770D+00
            D    1   1.00
                  0.14653507868          1.0000000
            F    1   1.00
                  0.5506500              1.0000000
            ****
            -Ir     0
            S    2   1.00
                 15.293709000           -1.6731899791
                 13.573682000            2.3934378976
            S    1   1.00
                  5.8213436542           1.0000000
            S    1   1.00
                  1.1520364268           1.0000000
            S    1   1.00
                  0.51104895338          1.0000000
            S    1   1.00
                  0.14084043578          1.0000000
            S    1   1.00
                  0.49828673085D-01      1.0000000
            P    4   1.00
                  8.6697960000           0.21469187346391
                  6.2456140000          -0.44863071815131
                  1.5657036153           0.50653393256771
                  0.75577412863          0.54052273352337
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.3617430000           0.56835425804006
                  1.1177053710           0.44304381513032
                  0.44322534858          0.47078394930144
            D    1   1.00
                  0.15641305125          1.0000000
            F    1   1.00
                  0.6100800              1.0000000
            ****
            -Pt     0
            S    2   1.00
                 16.559563000           -0.53808800717
                 13.892440000            0.91402161377
            S    1   1.00
                  5.8531044732           1.0000000
            S    1   1.00
                  1.2498640609           1.0000000
            S    1   1.00
                  0.55606439459          1.0000000
            S    1   1.00
                  0.13793093812          1.0000000
            S    1   1.00
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            P    4   1.00
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                  7.2000000000          -0.95441807252
                  1.5588402917           0.57140490320
                  0.73230402180          0.49508234268
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.93629991261          0.46533857641
                  0.37160028160          0.41129165525
            D    1   1.00
                  0.13155928617          1.0000000
            F    1   1.00
                  0.6681300              1.0000000
            ****
            -Au     0
            S    2   1.00
                 20.115299000           -0.15910719389
                 12.193477000            0.79105526778
            S    1   1.00
                  6.0735294368           1.0000000
            S    1   1.00
                  1.3174451569           1.0000000
            S    1   1.00
                  0.58596768244          1.0000000
            S    1   1.00
                  0.13875427354          1.0000000
            S    1   1.00
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            P    4   1.00
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                  7.3353260000          -0.72681584494
                  1.6575296365           0.57315511417
                  0.78159310216          0.49579068859
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.5682570000           0.40197233762
                  1.2345757130           0.46001988624
                  0.48190232338          0.46152130957882D+00
            D    1   1.00
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            F    1   1.00
                  0.7248200              1.0000000
            ****
            -Hg     0
            S    2   1.00
                 26.842049000           -0.26845096483D-01
                 10.320909000            0.81771278143
            S    1   1.00
                  6.3656242291           1.0000000
            S    1   1.00
                  1.3898932095           1.0000000
            S    1   1.00
                  0.63706742699          1.0000000
            S    1   1.00
                  0.16047725098          1.0000000
            S    1   1.00
                  0.56410423453D-01      1.0000000
            P    4   1.00
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                  7.1690950000          -0.44026342153
                  1.7559567931           0.58406314464
                  0.83145670425          0.49359746203
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.4800000000           0.37748470203231
                  1.2535869926           0.48342275878173
                  0.50841366863          0.43493523158359
            D    1   1.00
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            F    1   1.00
                  0.7956900              1.0000000
            ****
            -Tl     0
            S    6   1.00
                 45.356924655            0.50938157397D-02
                 20.278843336           -0.14805704314
                 14.420612394            0.36768453564
                  6.2161909754          -0.66820394623
                  1.5002511178           0.96232806743
                  0.76330879305          0.33175999361
            S    2   1.00
                  7.8193195283          -0.18828631537D-01
                  1.3176904042           0.32093431467
            S    1   1.00
                  0.17643545481          1.0000000
            S    1   1.00
                  0.65296835238D-01      1.0000000
            S    1   1.00
                  0.24592841139D-01      1.0000000
            P    4   1.00
                  9.0323058024           0.22738839085
                  7.5356419671          -0.35117975889
                  1.0521421998           0.25690085604
                  0.50303932656          0.84549942764D-01
            P    1   1.00
                  2.0067660913           1.0000000
            P    1   1.00
                  0.16675605056          1.0000000
            P    1   1.00
                  0.48596401464D-01      1.0000000
            D    5   1.00
                  9.4421940760           0.58250776986D-01
                  7.4410003381          -0.11789199301
                  1.9831617772           0.34232057636
                  0.91671748567          0.47557282350
                  0.39647207885          0.30528029435
            D    1   1.00
                  0.15500000000          1.0000000
            D    1   1.00
                  0.39237960293D-01      1.0000000
            ****
            -Pb     0
            S    6   1.00
                 55.727520333            0.29681153058D-02
                 20.302912827           -0.14352634362
                 14.558628750            0.37554188507
                  6.5370530973          -0.67253099800
                  1.5933900686           0.95887533909
                  0.83051419711          0.32593632538
            S    2   1.00
                  8.0719473648          -0.20412061217D-01
                  1.4165737490           0.32865829049
            S    1   1.00
                  0.20418933370          1.0000000
            S    1   1.00
                  0.77159007761D-01      1.0000000
            S    1   1.00
                  0.33059793391D-01      1.0000000
            P    4   1.00
                  9.5531412199           0.20542943990
                  7.5327685129          -0.36407590058
                  1.1185539567           0.32217481686
                  0.53739855255          0.96677743015D-01
            P    1   1.00
                  2.1359869828           1.0000000
            P    1   1.00
                  0.20027494801          1.0000000
            P    1   1.00
                  0.63408011513D-01      1.0000000
            D    5   1.00
                 13.494505735            0.11571042371D-01
                  7.0609770411          -0.66746645076D-01
                  2.1581835375           0.33978760942
                  1.0148541418           0.48523039273
                  0.44632672920          0.29682924018
            D    1   1.00
                  0.17500000000          1.0000000
            D    1   1.00
                  0.50585085346D-01      1.0000000
            ****
            -Bi     0
            S    6   1.00
                175.19632102             0.80278879028D-03
                 19.820147783           -0.14624461250
                 14.960110102            0.37435719885
                  6.7065785571          -0.68476017748
                  1.7391967524           0.90967322081
                  0.94504730591          0.38695797807
            S    2   1.00
                  8.4636832909          -0.20037183144D-01
                  1.5317838545           0.31054408682
            S    1   1.00
                  0.23405391503          1.0000000
            S    1   1.00
                  0.90268814613D-01      1.0000000
            S    1   1.00
                  0.41577775054D-01      1.0000000
            P    4   1.00
                 10.672046293            0.14391258793
                  7.1992185915          -0.37994608603
                  1.5359697528           0.53268032065
                  0.72201275727          0.23037698678
            P    1   1.00
                  2.8508661858           1.0000000
            P    1   1.00
                  0.23769418731          1.0000000
            P    1   1.00
                  0.78768140453D-01      1.0000000
            D    5   1.00
                 15.834273510            0.85062993231D-02
                  7.0956896087          -0.65954380016D-01
                  2.3363137007           0.33707163406
                  1.1208861366           0.49128719933
                  0.50309487376          0.29095930644
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.62256480090D-01      1.0000000
            ****
            -Po     0
            S    6   1.00
                278.13783916             0.91690497839D-03
                 19.659291105           -0.14713009283
                 15.016229647            0.38790413631
                  7.1149978720          -0.67059966298
                  1.7879214122           0.91212928327
                  0.94021655206          0.29153755200
            S    2   1.00
                  8.7584161749          -0.21561417525D-01
                  1.6503945866           0.31638990001
            S    1   1.00
                  0.26329582133          1.0000000
            S    1   1.00
                  0.10190654304          1.0000000
            S    1   1.00
                  0.36854928339D-01      1.0000000
            P    4   1.00
                 10.445945973            0.23631841405
                  8.0293101888          -0.45017818996
                  1.3588798023           0.44160334658
                  0.66829182929          0.14575285544
            P    1   1.00
                  2.4460635387           1.0000000
            P    1   1.00
                  0.27242942777          1.0000000
            P    1   1.00
                  0.88796031338D-01      1.0000000
            P    1   1.00
                  0.24278917089D-01      1.0000000
            D    5   1.00
                 18.292670150            0.72030963652D-02
                  7.1695578539          -0.66160544754D-01
                  2.5029225180           0.34363449378
                  1.2115945443           0.50529101033
                  0.54713334240          0.28301155453
            D    1   1.00
                  0.21500000000          1.0000000
            D    1   1.00
                  0.60680939679D-01      1.0000000
            ****
            -At     0
            S    6   1.00
                303.23376176             0.63504969788D-03
                 20.289449240           -0.13823165350
                 15.383783126            0.38333193283
                  7.4702184232          -0.66837560338
                  1.8731608346           0.91545877992
                  0.97426847543          0.25559567998
            S    2   1.00
                  8.9610112498          -0.23092977605D-01
                  1.7804284294           0.31690635939
            S    1   1.00
                  0.29269461143          1.0000000
            S    1   1.00
                  0.11395353119          1.0000000
            S    1   1.00
                  0.42558321816D-01      1.0000000
            P    4   1.00
                 10.722023134            0.26194870008
                  8.4823338656          -0.46607228264
                  1.3474291294           0.42119853309
                  0.62824011467          0.10643224457
            P    1   1.00
                  2.4814896839           1.0000000
            P    1   1.00
                  0.31036518470          1.0000000
            P    1   1.00
                  0.10144862043          1.0000000
            P    1   1.00
                  0.26996558228D-01      1.0000000
            D    5   1.00
                 20.799819604            0.65227965381D-02
                  7.1664616770          -0.67780885217D-01
                  2.6934397048           0.33954991335
                  1.3175112423           0.50899559178
                  0.59997066293          0.27526771759
            D    1   1.00
                  0.23500000000          1.0000000
            D    1   1.00
                  0.67929272623D-01      1.0000000
            ****
            -Rn     0
            S    5   1.00
               5187.7442468              0.16097034848D-03
                768.14491207             0.10508214789D-02
                159.35182065             0.27375438093D-02
                 21.863432724           -0.55045904905
                 18.388689978            0.78321373922
            S    2   1.00
                 24.816226448           -0.82636797204D-01
                  7.2923301677           1.0926256000
            S    1   1.00
                  2.0850437166           1.0000000
            S    1   1.00
                  1.0915245945           1.0000000
            S    1   1.00
                  0.34915708428          1.0000000
            S    1   1.00
                  0.13648422952          1.0000000
            S    1   1.00
                  0.46837581728D-01      1.0000000
            P    4   1.00
                  9.0845000304          -0.23093917426
                  6.2631489717           0.39747614192
                  2.2545193734           0.83026693838
                  1.1180666918           0.51467013112
            P    3   1.00
                194.68918723             0.26265814046D-03
                 11.210013525            0.19952302621
                  7.5298316489          -0.45994479561
            P    1   1.00
                  0.47444492594          1.0000000
            P    1   1.00
                  0.20172354616          1.0000000
            P    1   1.00
                  0.79503144392D-01      1.0000000
            P    1   1.00
                  0.22264519316D-01      1.0000000
            D    6   1.00
                 75.302723665            0.73590238429D-03
                 17.965913830            0.89490827389D-02
                  7.3741298033          -0.76641663693D-01
                  3.2296258578           0.22975404602
                  1.7937840508           0.43991495311
                  0.94633319732          0.35259395198
            D    1   1.00
                  0.46860482223          1.0000000
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.68815941916D-01      1.0000000
            F    1   1.00
                  2.1000000              1.0000000
            F    1   1.00
                  0.4180600              1.0000000
            ****
            
            -RB     0
            RB-ECP     3     28
            f potential
              1
            2      3.8431140            -12.3169000
            s-f potential
              3
            2      5.0365510             89.5001980
            2      1.9708490              0.4937610
            2      3.8431140             12.3169000
            p-f potential
              3
            2      4.2583410             58.5689740
            2      1.4707090              0.4317910
            2      3.8431140             12.3169000
            d-f potential
              3
            2      3.0231270             26.2248980
            2      0.6503830              0.9628390
            2      3.8431140             12.3169000
            -SR     0
            SR-ECP     3     28
            f potential
              1
            2      4.6339750            -15.8059920
            s-f potential
              3
            2      7.4000740            135.4794300
            2      3.6063790             17.5344630
            2      4.6339750             15.8059920
            p-f potential
              3
            2      6.4848680             88.3597090
            2      3.2880530             15.3943720
            2      4.6339750             15.8059920
            d-f potential
              3
            2      4.6228410             29.8889870
            2      2.2469040              6.6594140
            2      4.6339750             15.8059920
            -Y     0
            Y-ECP     3     28
            f potential
              2
            2      6.5842120            -19.12219811
            2      3.2921060             -2.43637543
            s-f potential
              4
            2      7.4880494            135.15384412
            2      3.7440247             15.55244130
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            p-f potential
              4
            2      6.4453772             87.78499167
            2      3.2226886             11.56406599
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            d-f potential
              4
            2      4.6584472             29.70100072
            2      2.3292236              5.53996847
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            -ZR     0
            ZR-ECP     3     28
            f potential
              2
            2      7.5400000            -21.09377605
            2      3.7700000             -3.08069427
            s-f potential
              4
            2      8.2000000            150.26759106
            2      4.0897278             18.97621650
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            p-f potential
              4
            2      7.1100000             99.62212372
            2      3.5967980             14.16873329
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            d-f potential
              4
            2      5.3500000             35.04512355
            2      2.4918215              6.11125948
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            -NB     0
            NB-ECP     3     28
            f potential
              2
            2      8.4900000            -22.92954996
            2      4.2500000             -3.66630986
            s-f potential
              4
            2      8.9000000            165.17914349
            2      4.4300000             21.99297437
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            p-f potential
              4
            2      7.7700000            111.79441445
            2      3.9600000             16.63348326
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            d-f potential
              4
            2      6.0500000             38.11224880
            2      2.8400000              8.03916727
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            -MO     0
            MO-ECP     3     28
            f potential
              2
            2      9.4500000            -24.80517707
            2      4.7200000             -4.15378155
            s-f potential
              4
            2      9.7145938            180.10310850
            2      4.6805004             24.99722791
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            p-f potential
              4
            2      8.1421366            123.77275231
            2      4.6259863             19.53022800
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            d-f potential
              4
            2      6.6184148             48.37502229
            2      3.2487516              8.89205274
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            -TC     0
            TC-ECP     3     28
            f potential
              2
            2     10.4000000            -26.56244747
            2      5.2000000             -4.58568054
            s-f potential
              4
            2     10.4223462            195.15916591
            2      5.0365160             28.09260333
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            p-f potential
              4
            2      8.9504494            135.28456622
            2      4.8544394             21.80650430
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            d-f potential
              4
            2      6.9456968             54.32972942
            2      3.9705849             11.15506795
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            -RU     0
            RU-ECP     3     28
            f potential
              2
            2     11.3600000            -28.34061627
            2      5.6800000             -4.94462923
            s-f potential
              4
            2     11.1052693            209.82297122
            2      5.4147454             30.65472642
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            p-f potential
              4
            2      9.7712707            146.33618228
            2      5.0739908             24.12787723
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            d-f potential
              4
            2      7.6714231             67.51589667
            2      4.1365647              9.87010415
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            -RH     0
            RH-ECP     3     28
            f potential
              2
            2     12.3100000            -30.09345572
            2      6.1600000             -5.21848192
            s-f potential
              4
            2     11.7200000            225.34775353
            2      5.8200000             32.82318898
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            p-f potential
              4
            2     10.4200000            158.70941159
            2      5.4500000             26.44410049
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            d-f potential
              4
            2      8.8200000             62.75862572
            2      3.8700000             10.97871947
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            -PD     0
            PD-ECP     3     28
            f potential
              2
            2     13.2700000            -31.92955431
            2      6.6300000             -5.39821694
            s-f potential
              4
            2     12.4300000            240.22904033
            2      6.1707594             35.17194347
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            p-f potential
              4
            2     11.0800000            170.41727605
            2      5.8295541             28.47213287
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            d-f potential
              4
            2      9.5100000             69.01384488
            2      4.1397811             11.75086158
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            -AG     0
            AG-ECP     3     28
            f potential
              2
            2     14.2200000            -33.68992012
            2      7.1100000             -5.53112021
            s-f potential
              4
            2     13.1300000            255.13936452
            2      6.5100000             36.86612154
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            p-f potential
              4
            2     11.7400000            182.18186871
            2      6.2000000             30.35775148
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            d-f potential
              4
            2     10.2100000             73.71926087
            2      4.3800000             12.50211712
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            -CD     0
            CD-ECP     3     28
            f potential
              2
            2     15.1847957            -35.47662555
            2      7.5923978             -5.61767685
            s-f potential
              4
            2     13.8358689            270.00948324
            2      6.8572704             38.76730798
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            p-f potential
              4
            2     12.4049710            193.82962939
            2      6.5677995             31.89652523
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            d-f potential
              4
            2     10.8969253             79.19364700
            2      4.6411649             13.23082674
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            -IN     0
            IN-ECP     3     28
            f potential
              2
            2     12.53905600           -13.72807800
            2     12.55256100           -18.20686600
            s-f potential
              4
            2     15.39282200           281.12235000
            2      8.05586400            61.90147000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            p-f potential
              6
            2     13.92867200            67.46215400
            2     13.34723400           134.94925000
            2      7.61413200            14.74614000
            2      7.31836500            29.63926200
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            d-f potential
              6
            2     14.03471500            35.49325400
            2     14.51161600            53.17877300
            2      5.55055000             9.17728100
            2      5.05941500            12.39241000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            -SN     0
            SN-ECP     3     28
            f potential
              2
            2     12.28234800           -12.57633300
            2     12.27215000           -16.59594400
            s-f potential
              4
            2     17.42041400           279.98868200
            2      7.63115500            62.37781000
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            p-f potential
              6
            2     16.13102400            66.16252300
            2     15.62807700           132.17439600
            2      7.32560800            16.33941700
            2      6.94251900            32.48895900
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            d-f potential
              6
            2     15.51497600            36.38744100
            2     15.18816000            54.50784100
            2      5.45602400             8.69682300
            2      5.36310500            12.84020800
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            -SB     0
            SB-ECP     3     28
            f potential
              2
            2     14.44497800           -15.36680100
            2     14.44929500           -20.29613800
            s-f potential
              4
            2     16.33086500           281.07158100
            2      8.55654200            61.71660400
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            p-f potential
              6
            2     14.47033700            67.45738000
            2     13.81619400           134.93350300
            2      8.42492400            14.71634400
            2      8.09272800            29.51851200
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            d-f potential
              6
            2     14.88633100            35.44781500
            2     15.14631900            53.14346600
            2      5.90826700             9.17922300
            2      5.59432200            13.24025300
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            -TE     0
            TE-ECP     3     28
            f potential
              2
            2     15.20616800           -15.74545000
            2     15.20170200           -20.74244800
            s-f potential
              4
            2     16.81447300           281.04584300
            2      8.79352600            61.62065600
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            p-f potential
              6
            2     14.87780100            67.44946400
            2     14.26973100           134.90430400
            2      8.72443500            14.68954700
            2      8.29151500            29.41506300
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            d-f potential
              6
            2     15.20500800            35.43205700
            2     15.22584800            53.13568700
            2      6.07176900             9.06980200
            2      5.80476000            13.12230400
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            -I     0
            I-ECP     3     28
            f potential
              4
            2     19.45860900           -21.84204000
            2     19.34926000           -28.46819100
            2      4.82376700            -0.24371300
            2      4.88431500            -0.32080400
            s-f potential
              7
            2     40.01583500            49.99429300
            2     17.42974700           281.02531700
            2      9.00548400            61.57332600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            p-f potential
              8
            2     15.35546600            67.44284100
            2     14.97183300           134.88113700
            2      8.96016400            14.67505100
            2      8.25909600            29.37566600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            d-f potential
              10
            2     15.06890800            35.43952900
            2     14.55532200            53.17605700
            2      6.71864700             9.06719500
            2      6.45639300            13.20693700
            2      1.19177900             0.08933500
            2      1.29115700             0.05238000
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            -XE     0
            XE-ECP     3     28
            f potential
              4
            2     20.88155700           -23.08929500
            2     20.78344300           -30.07447500
            2      5.25338900            -0.28822700
            2      5.36118800            -0.38692400
            s-f potential
              7
            2     40.00518400            49.99796200
            2     17.81221400           281.01330300
            2      9.30415000            61.53825500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            p-f potential
              8
            2     15.70177200            67.43914200
            2     15.25860800           134.87471100
            2      9.29218400            14.66330000
            2      8.55900300            29.35473000
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            d-f potential
              10
            2     15.18560000            35.43690800
            2     14.28450000            53.19577200
            2      7.12188900             9.04623200
            2      6.99196300            13.22368100
            2      0.62394600             0.08485300
            2      0.64728400             0.04415500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            -CS     0
            CS-ECP     3     46
            f potential
              1
            2      3.1232690            -28.8843090
            s-f potential
              3
            2      4.0797500             84.5477300
            2      2.4174060             16.6541730
            2      3.1232690             28.8843090
            p-f potential
              3
            2      5.5140800            157.0490590
            2      2.1603160             26.4233070
            2      3.1232690             28.8843090
            d-f potential
              3
            2      1.8074100             13.1727530
            2      0.8581820              3.3428330
            2      3.1232690             28.8843090
            -BA     0
            BA-ECP     3     46
            f potential
              1
            2      3.5894650            -33.4731740
            s-f potential
              3
            2      9.5269860            427.8458160
            2      4.4875100            204.4175300
            2      3.5894650             33.4731740
            p-f potential
              3
            2      8.3159300            293.6058640
            2      4.2922170            294.1933160
            2      3.5894650             33.4731740
            d-f potential
              3
            2      5.9161080            112.5504020
            2      2.8748420            181.7826210
            2      3.5894650             33.4731740
            -LA     0
            LA-ECP     3     46
            f potential
              1
            2      4.0286000            -36.0100160
            s-f potential
              3
            2      3.3099000             91.9321770
            2      1.6550000             -3.7887640
            2      4.0286000             36.0100160
            p-f potential
              3
            2      2.8368000             63.7594860
            2      1.4184000             -0.6479580
            2      4.0286000             36.0100160
            d-f potential
              3
            2      2.0213000             36.1161730
            2      1.0107000              0.2191140
            2      4.0286000             36.0100160
            -HF     0
            HF-ECP     3     60
            f potential
              1
            2      1.78576984            10.04672251
            s-f potential
              3
            2     14.76995900          1499.28471073
            2      7.38497940            40.28210136
            2      1.78576984           -10.04672251
            p-f potential
              3
            2      9.84948950           397.73300533
            2      4.92474450            19.31640586
            2      1.78576984           -10.04672251
            d-f potential
              3
            2      6.09675640           101.32980526
            2      3.04837820             5.87343821
            2      1.78576984           -10.04672251
            -TA     0
            TA-ECP     3     60
            f potential
              1
            2      2.01788111            12.01796094
            s-f potential
              3
            2     14.54640770          1345.88064703
            2      7.27320380            36.76680620
            2      2.01788111           -12.01796094
            p-f potential
              3
            2      9.93556529           378.42530145
            2      4.96778243            22.29309086
            2      2.01788111           -12.01796094
            d-f potential
              3
            2      6.34737691           104.88395571
            2      3.17368846             8.75584805
            2      2.01788111           -12.01796094
            -W     0
            W-ECP     3     60
            f potential
              1
            2      2.25888846            14.15257947
            s-f potential
              3
            2     14.32285640          1192.39588226
            2      7.16142810            32.52293315
            2      2.25888846           -14.15257947
            p-f potential
              3
            2     10.02164110           359.03196711
            2      5.01082040            24.03038019
            2      2.25888846           -14.15257947
            d-f potential
              3
            2      6.59799743           108.30134897
            2      3.29899871            10.98252827
            2      2.25888846           -14.15257947
            -RE     0
            RE-ECP     3     60
            f potential
              1
            2      2.50865059            16.44985227
            s-f potential
              3
            2     14.09930510          1038.95157226
            2      7.04965250            29.56173830
            2      2.50865059           -16.44985227
            p-f potential
              3
            2     10.10771690           339.54350965
            2      5.05385830            24.91369646
            2      2.50865059           -16.44985227
            d-f potential
              3
            2      6.84861794           111.69965275
            2      3.42430897            12.62432927
            2      2.50865059           -16.44985227
            -OS     0
            OS-ECP     3     60
            f potential
              1
            2      2.76707510            18.90945701
            s-f potential
              3
            2     13.87575390           885.40571914
            2      6.93787690            25.96704014
            2      2.76707510           -18.90945701
            p-f potential
              3
            2     10.19379260           320.08390185
            2      5.09689620            26.14876493
            2      2.76707510           -18.90945701
            d-f potential
              3
            2      7.09923846           115.04484313
            2      3.54961923            13.62257457
            2      2.76707510           -18.90945701
            -IR     0
            IR-ECP     3     60
            f potential
              1
            2      3.03407192            21.53103107
            s-f potential
              3
            2     13.65220260           732.26919978
            2      6.82610130            26.48472087
            2      3.03407192           -21.53103107
            p-f potential
              3
            2     10.27986840           299.48947357
            2      5.13993410            26.46623354
            2      3.03407192           -21.53103107
            d-f potential
              3
            2      7.34985897           124.45759451
            2      3.67492949            14.03599518
            2      3.03407192           -21.53103107
            -PT     0
            PT-ECP     3     60
            f potential
              1
            2      3.30956857            24.31437573
            s-f potential
              3
            2     13.42865130           579.22386092
            2      6.71432560            29.66949062
            2      3.30956857           -24.31437573
            p-f potential
              3
            2     10.36594420           280.86077422
            2      5.18297210            26.74538204
            2      3.30956857           -24.31437573
            d-f potential
              3
            2      7.60047949           120.39644429
            2      3.80023974            15.81092058
            2      3.30956857           -24.31437573
            -AU     0
            AU-ECP     3     60
            f potential
              2
            2      4.78982000            30.49008890
            2      2.39491000             5.17107381
            s-f potential
              4
            2     13.20510000           426.84667920
            2      6.60255000            37.00708285
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            p-f potential
              4
            2     10.45202000           261.19958038
            2      5.22601000            26.96249604
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            d-f potential
              4
            2      7.85110000           124.79066561
            2      3.92555000            16.30072573
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            -HG     0
            HG-ECP     3     60
            f potential
              1
            2      3.88579112            30.36499643
            s-f potential
              3
            2     12.98154870           275.73721174
            2      6.49077440            49.08921249
            2      3.88579112           -30.36499643
            p-f potential
              3
            2     10.53809580           241.54007398
            2      5.26904790            27.39659081
            2      3.88579112           -30.36499643
            d-f potential
              3
            2      8.10172051           127.86700761
            2      4.05086026            16.60831151
            2      3.88579112           -30.36499643
            -TL     0
            TL-ECP     3     60
            f potential
              4
            2      5.62639900            15.82548800
            2      5.54895200            21.10402100
            2      2.87494600             2.91512700
            2      2.82145100             3.89690300
            s-f potential
              6
            2     12.16780500           281.28466300
            2      8.29490900            62.43425100
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            p-f potential
              8
            2      7.15149200             4.63340800
            2      5.17286500             9.34175600
            2      9.89107200            72.29925300
            2      9.00339100           144.55803700
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            d-f potential
              8
            2      7.13021800            35.94303900
            2      6.92690600            53.90959300
            2      5.41757000            10.38193900
            2      5.13868100            15.58382200
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            -PB     0
            PB-ECP     3     60
            f potential
              2
            2      3.88751200            12.20989200
            2      3.81196300            16.19029100
            s-f potential
              4
            2     12.29630300           281.28549900
            2      8.63263400            62.52021700
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            p-f potential
              6
            2     10.24179000            72.27689700
            2      8.92417600           144.59108300
            2      6.58134200             4.75869300
            2      6.25540300             9.94062100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            d-f potential
              6
            2      7.75433600            35.84850700
            2      7.72028100            53.72434200
            2      4.97026400            10.11525600
            2      4.56378900            14.83373100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            -BI     0
            BI-ECP     3     60
            f potential
              2
            2      4.21454600            13.71338300
            2      4.13340000            18.19430800
            s-f potential
              4
            2     13.04309000           283.26422700
            2      8.22168200            62.47195900
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            p-f potential
              6
            2     10.46777700            72.00149900
            2      9.11890100           144.00227700
            2      6.75479100             5.00794500
            2      6.25259200             9.99155000
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            d-f potential
              6
            2      8.08147400            36.39625900
            2      7.89059500            54.59766400
            2      4.95555600             9.98429400
            2      4.70455900            14.98148500
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            -PO     0
            PO-ECP     3     60
            f potential
              4
            2      5.01327000            17.42829500
            2      4.98464000            23.38035300
            2      1.32676000             0.16339200
            2      1.52875800             0.32456600
            s-f potential
              6
            2     13.27722700           283.24470600
            2      8.39951800            62.39646100
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            p-f potential
              8
            2     10.66568200            71.99171600
            2      9.28375300           143.97187100
            2      6.87274900             4.94961500
            2      6.32615000             9.74049900
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            d-f potential
              8
            2      8.21486600            36.37838300
            2      8.00869600            54.56271500
            2      5.05522700             9.88949900
            2      4.78255300            14.69387700
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            -AT     0
            AT-ECP     3     60
            f potential
              4
            2      5.81216300            19.87019800
            2      5.75371500            26.41645200
            2      2.51347200             0.99497000
            2      2.53626100             1.49070100
            s-f potential
              7
            2     30.20083200            49.95715800
            2     13.61230600           283.21037100
            2      8.52934000            62.28105200
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            p-f potential
              8
            2     10.85406500            71.98237100
            2      9.46822900           143.90353200
            2      7.03111400             4.87175900
            2      6.14385800             8.98305900
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            d-f potential
              8
            2      8.31351500            36.36323700
            2      7.99896500            54.54897000
            2      5.17996600             9.77628500
            2      4.94222600            14.26475500
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            -RN     0
            RN-ECP     3     60
            f potential
              4
            2      6.34857100            21.79729000
            2      6.29594900            28.94680500
            2      2.88211800             1.44736500
            2      2.90804800             2.17796400
            s-f potential
              7
            2     30.15124200            49.96555100
            2     14.52124100           283.07000000
            2      8.05203800            62.00287000
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            p-f potential
              8
            2     11.00994200            71.96911900
            2      9.61762500           143.86055900
            2      7.33600800             4.71476100
            2      6.40625300             9.01306500
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            d-f potential
              8
            2      8.36922000            36.36836500
            2      8.11697500            54.55176100
            2      5.35365600             9.63448700
            2      5.09721200            14.38790200
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/wB97XD_def2SVPD/Gau-14439.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/wB97XD_def2SVPD/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=     14459.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                13-Aug-2021 
 ******************************************
 %NoSave
 %nproc=8
 Will use up to    8 processors via shared memory.
 %mem=48GB
 %chk=21_phenylethanol_conformer05_STD_wB97XD_def2SVPD
 ----------------------------------------------------------------------
 #P wB97XD/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120) Polar=ROA
  Guess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-58,75=-5,116=-2/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Fri Aug 13 11:11:40 2021, MaxMem=  6442450944 cpu:               2.3 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "21_phenylethanol_conformer05_STD_wB97XD_def2SVPD.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  O                                                -2.206683000000      0.991247000000     -0.693458000000
  C                                                -1.642229000000     -0.263628000000     -0.312054000000
  H                                                -3.164880000000      0.922730000000     -0.631250000000
  H                                                -1.839152000000     -1.004057000000     -1.098273000000
  C                                                -2.254977000000     -0.761668000000      0.996255000000
  C                                                -0.146221000000     -0.098970000000     -0.189451000000
  H                                                -1.821288000000     -1.719640000000      1.286063000000
  H                                                -3.335121000000     -0.898007000000      0.890460000000
  H                                                -2.067076000000     -0.041194000000      1.793736000000
  C                                                 0.419918000000      1.122300000000      0.166451000000
  C                                                 1.795424000000      1.237450000000      0.329195000000
  C                                                 2.619920000000      0.134599000000      0.141627000000
  C                                                 2.060837000000     -1.086536000000     -0.217112000000
  C                                                 0.686656000000     -1.198736000000     -0.383700000000
  H                                                -0.222613000000      1.980785000000      0.301021000000
  H                                                 2.224694000000      2.193556000000      0.600973000000
  H                                                 3.691054000000      0.226969000000      0.266922000000
  H                                                 2.695233000000     -1.949451000000     -0.374819000000
  H                                                 0.256637000000     -2.150534000000     -0.674443000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 NAtoms=     19 NQM=       19 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          16          12           1           1          12          12           1           1           1          12
 AtmWgt=  15.9949146  12.0000000   1.0078250   1.0078250  12.0000000  12.0000000   1.0078250   1.0078250   1.0078250  12.0000000
 NucSpn=           0           0           1           1           0           0           1           1           1           0
 AtZEff=   5.6000000   3.6000000   1.0000000   1.0000000   3.6000000   3.6000000   1.0000000   1.0000000   1.0000000   3.6000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   2.7928460   2.7928460   0.0000000   0.0000000   2.7928460   2.7928460   2.7928460   0.0000000
 AtZNuc=   8.0000000   6.0000000   1.0000000   1.0000000   6.0000000   6.0000000   1.0000000   1.0000000   1.0000000   6.0000000

  Atom        11          12          13          14          15          16          17          18          19
 IAtWgt=          12          12          12          12           1           1           1           1           1
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           0           0           0           0           1           1           1           1           1
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.085645
 Leave Link  101 at Fri Aug 13 11:11:41 2021, MaxMem=  6442450944 cpu:               1.0 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          8           0       -2.206683    0.991247   -0.693458
      2          6           0       -1.642229   -0.263628   -0.312054
      3          1           0       -3.164880    0.922730   -0.631250
      4          1           0       -1.839152   -1.004057   -1.098273
      5          6           0       -2.254977   -0.761668    0.996255
      6          6           0       -0.146221   -0.098970   -0.189451
      7          1           0       -1.821288   -1.719640    1.286063
      8          1           0       -3.335121   -0.898007    0.890460
      9          1           0       -2.067076   -0.041194    1.793736
     10          6           0        0.419918    1.122300    0.166451
     11          6           0        1.795424    1.237450    0.329195
     12          6           0        2.619920    0.134599    0.141627
     13          6           0        2.060837   -1.086536   -0.217112
     14          6           0        0.686656   -1.198736   -0.383700
     15          1           0       -0.222613    1.980785    0.301021
     16          1           0        2.224694    2.193556    0.600973
     17          1           0        3.691054    0.226969    0.266922
     18          1           0        2.695233   -1.949451   -0.374819
     19          1           0        0.256637   -2.150534   -0.674443
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  O    0.000000
     2  C    1.427862   0.000000
     3  H    0.962656   1.956476   0.000000
     4  H    2.068863   1.097795   2.384989   0.000000
     5  C    2.435195   1.528128   2.512746   2.149119   0.000000
     6  C    2.384974   1.510028   3.217353   2.123948   2.508370
     7  H    3.378748   2.169334   3.530361   2.489465   1.090773
     8  H    2.711356   2.171258   2.379005   2.490829   1.093843
     9  H    2.696583   2.159704   2.831056   3.056595   1.091039
    10  C    2.766885   2.530260   3.677898   3.350271   3.375348
    11  C    4.138030   3.805508   5.062225   4.502462   4.565872
    12  C    4.972656   4.304686   5.889177   4.766258   5.029742
    13  C    4.770306   3.794587   5.613981   3.999145   4.494891
    14  C    3.641893   2.510630   4.404115   2.632151   3.278492
    15  H    2.429960   2.725539   3.262751   3.671581   3.483519
    16  H    4.770556   4.671666   5.672819   5.443070   5.381175
    17  H    6.024098   5.387003   6.949434   5.827723   6.071624
    18  H    5.725209   4.653978   6.531164   4.688049   5.272120
    19  H    3.992380   2.701376   4.599304   2.426185   3.320901
                    6          7          8          9         10
     6  C    0.000000
     7  H    2.758544   0.000000
     8  H    3.460311   1.767278   0.000000
     9  H    2.761531   1.770685   1.777069   0.000000
    10  C    1.392365   3.788556   4.325060   3.191695   0.000000
    11  C    2.413503   4.768709   5.585489   4.324201   1.389878
    12  C    2.795658   4.946945   6.090118   4.972756   2.411675
    13  C    2.418089   4.210849   5.511680   4.709131   2.778253
    14  C    1.393163   3.057651   4.229493   3.696508   2.400213
    15  H    2.138172   4.149604   4.280489   3.117473   1.080718
    16  H    3.391413   5.670311   6.368132   4.983581   2.143272
    17  H    3.878040   5.934126   7.142934   5.963148   3.392940
    18  H    3.395954   4.817707   6.250731   5.569889   3.860788
    19  H    2.146259   2.889122   4.113207   3.992601   3.383076
                   11         12         13         14         15
    11  C    0.000000
    12  C    1.389696   0.000000
    13  C    2.402042   1.390122   0.000000
    14  C    2.769944   2.406504   1.388781   0.000000
    15  H    2.150771   3.393200   3.858894   3.377124   0.000000
    16  H    1.082716   2.146277   3.384541   3.852634   2.474784
    17  H    2.149038   1.082386   2.148765   3.388562   4.288802
    18  H    3.385503   2.148407   1.082567   2.144303   4.941390
    19  H    3.854036   3.387168   2.143917   1.084144   4.271886
                   16         17         18         19
    16  H    0.000000
    17  H    2.475735   0.000000
    18  H    4.282299   2.477962   0.000000
    19  H    4.936705   4.281811   2.465149   0.000000
 Stoichiometry    C8H10O
 Framework group  C1[X(C8H10O)]
 Deg. of freedom    51
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 1.57D-16
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          8           0       -2.206683    0.991247   -0.693458
      2          6           0       -1.642229   -0.263628   -0.312054
      3          1           0       -3.164880    0.922730   -0.631250
      4          1           0       -1.839152   -1.004057   -1.098273
      5          6           0       -2.254977   -0.761668    0.996255
      6          6           0       -0.146221   -0.098970   -0.189451
      7          1           0       -1.821288   -1.719640    1.286063
      8          1           0       -3.335121   -0.898007    0.890460
      9          1           0       -2.067076   -0.041194    1.793736
     10          6           0        0.419918    1.122300    0.166451
     11          6           0        1.795424    1.237450    0.329195
     12          6           0        2.619920    0.134599    0.141627
     13          6           0        2.060837   -1.086536   -0.217112
     14          6           0        0.686656   -1.198736   -0.383700
     15          1           0       -0.222613    1.980785    0.301021
     16          1           0        2.224694    2.193556    0.600973
     17          1           0        3.691054    0.226969    0.266922
     18          1           0        2.695233   -1.949451   -0.374819
     19          1           0        0.256637   -2.150534   -0.674443
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           3.4754003           1.1392966           0.9690623
 Leave Link  202 at Fri Aug 13 11:11:41 2021, MaxMem=  6442450944 cpu:               0.2 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:       3      4      7      8      9     15     16     17     18     19
 S 3 1.00
     Exponent=  1.3010701000D+01 Coefficients=  1.9682158000D-02
     Exponent=  1.9622572000D+00 Coefficients=  1.3796524000D-01
     Exponent=  4.4453796000D-01 Coefficients=  4.7831935000D-01
 S 1 1.00
     Exponent=  1.2194962000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.1704099050D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       2      5      6     10     11     12     13     14
 S 5 1.00
     Exponent=  1.2384016938D+03 Coefficients=  5.4568832082D-03
     Exponent=  1.8629004992D+02 Coefficients=  4.0638409211D-02
     Exponent=  4.2251176346D+01 Coefficients=  1.8025593888D-01
     Exponent=  1.1676557932D+01 Coefficients=  4.6315121755D-01
     Exponent=  3.5930506482D+00 Coefficients=  4.4087173314D-01
 S 1 1.00
     Exponent=  4.0245147363D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  1.3090182668D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  6.7053540256D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  9.4680970621D+00 Coefficients=  3.8387871728D-02
     Exponent=  2.0103545142D+00 Coefficients=  2.1117025112D-01
     Exponent=  5.4771004707D-01 Coefficients=  5.1328172114D-01
 P 1 1.00
     Exponent=  1.5268613795D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1713185140D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1
 S 5 1.00
     Exponent=  2.2661767785D+03 Coefficients= -5.3431809926D-03
     Exponent=  3.4087010191D+02 Coefficients= -3.9890039230D-02
     Exponent=  7.7363135167D+01 Coefficients= -1.7853911985D-01
     Exponent=  2.1479644940D+01 Coefficients= -4.6427684959D-01
     Exponent=  6.6589433124D+00 Coefficients= -4.4309745172D-01
 S 1 1.00
     Exponent=  8.0975975668D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.5530772234D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  7.6572453250D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  1.7721504317D+01 Coefficients=  4.3394573193D-02
     Exponent=  3.8635505440D+00 Coefficients=  2.3094120765D-01
     Exponent=  1.0480920883D+00 Coefficients=  5.1375311064D-01
 P 1 1.00
     Exponent=  2.7641544411D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  6.9002276350D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.2000000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.7992024323D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 There are   281 symmetry adapted cartesian basis functions of A   symmetry.
 There are   263 symmetry adapted basis functions of A   symmetry.
   263 basis functions,   391 primitive gaussians,   281 cartesian basis functions
    33 alpha electrons       33 beta electrons
       nuclear repulsion energy       425.8905530360 Hartrees.
 IExCor= 4639 DFT=T Ex+Corr=wB97XD ExCW=0 ScaHFX=  1.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=121
 HFx  wShort=  0.000000 wLong=  0.200000 cFull=  0.222036 cShort=  0.000000 cLong=  0.777964
 DFx  wShort=  0.000000 wLong=  0.200000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 NAtoms=   19 NActive=   19 NUniq=   19 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 R6Disp:  Grimme-D2 Dispersion energy=       -0.0101895700 Hartrees.
 Nuclear repulsion after empirical dispersion term =      425.8803634660 Hartrees.
 Leave Link  301 at Fri Aug 13 11:11:42 2021, MaxMem=  6442450944 cpu:               7.0 elap:               1.0
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   263 RedAO= T EigKep=  5.37D-06  NBF=   263
 NBsUse=   263 1.00D-06 EigRej= -1.00D+00 NBFU=   263
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   281   281   281   281   281 MxSgAt=    19 MxSgA2=    19.
 Leave Link  302 at Fri Aug 13 11:11:43 2021, MaxMem=  6442450944 cpu:               3.6 elap:               0.6
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Fri Aug 13 11:11:44 2021, MaxMem=  6442450944 cpu:               0.5 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "21_phenylethanol_conformer05_STD_wB97XD_def2SVPD.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=    -0.000000   -0.000000    0.000000
         Rot=    1.000000   -0.000000   -0.000000   -0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Fri Aug 13 11:11:44 2021, MaxMem=  6442450944 cpu:               3.8 elap:               0.6
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  6442450944 LenX=  6442287951 LenY=  6442208549
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -385.703036775379    
 DIIS: error= 4.77D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -385.703036775379     IErMin= 1 ErrMin= 4.77D-03
 ErrMax= 4.77D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 9.37D-03 BMatP= 9.37D-03
 IDIUse=3 WtCom= 9.52D-01 WtEn= 4.77D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.379 Goal=   None    Shift=    0.000
 GapD=    0.379 DampG=1.000 DampE=1.000 DampFc=1.0000 IDamp=-1.
 RMSDP=9.34D-03 MaxDP=2.35D-01              OVMax= 1.71D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  7.92D-03    CP:  1.16D+00
 E= -385.711029919229     Delta-E=       -0.007993143850 Rises=F Damp=F
 DIIS: error= 8.78D-04 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -385.711029919229     IErMin= 2 ErrMin= 8.78D-04
 ErrMax= 8.78D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.00D-04 BMatP= 9.37D-03
 IDIUse=3 WtCom= 9.91D-01 WtEn= 8.78D-03
 Coeff-Com: -0.186D-01 0.102D+01
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:     -0.185D-01 0.102D+01
 Gap=     0.379 Goal=   None    Shift=    0.000
 RMSDP=1.62D-03 MaxDP=4.93D-02 DE=-7.99D-03 OVMax= 7.43D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  7.02D-04    CP:  1.19D+00  1.12D+00
 E= -385.711276464288     Delta-E=       -0.000246545059 Rises=F Damp=F
 DIIS: error= 9.76D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 3 EnMin= -385.711276464288     IErMin= 2 ErrMin= 8.78D-04
 ErrMax= 9.76D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.64D-04 BMatP= 3.00D-04
 IDIUse=3 WtCom= 9.90D-01 WtEn= 9.76D-03
 Coeff-Com: -0.482D-01 0.505D+00 0.543D+00
 Coeff-En:   0.000D+00 0.813D-01 0.919D+00
 Coeff:     -0.477D-01 0.501D+00 0.547D+00
 Gap=     0.379 Goal=   None    Shift=    0.000
 RMSDP=1.44D-04 MaxDP=6.72D-03 DE=-2.47D-04 OVMax= 3.65D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  1.15D-04    CP:  1.19D+00  1.12D+00  1.05D+00
 E= -385.711467024315     Delta-E=       -0.000190560027 Rises=F Damp=F
 DIIS: error= 1.17D-04 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -385.711467024315     IErMin= 4 ErrMin= 1.17D-04
 ErrMax= 1.17D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.96D-06 BMatP= 2.64D-04
 IDIUse=3 WtCom= 9.99D-01 WtEn= 1.17D-03
 Coeff-Com: -0.100D-01 0.338D-01 0.119D+00 0.858D+00
 Coeff-En:   0.000D+00 0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.100D-01 0.338D-01 0.118D+00 0.858D+00
 Gap=     0.379 Goal=   None    Shift=    0.000
 RMSDP=5.48D-05 MaxDP=1.43D-03 DE=-1.91D-04 OVMax= 8.05D-04

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  4.64D-05    CP:  1.19D+00  1.13D+00  1.08D+00  1.12D+00
 E= -385.711473146792     Delta-E=       -0.000006122477 Rises=F Damp=F
 DIIS: error= 4.15D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -385.711473146792     IErMin= 5 ErrMin= 4.15D-05
 ErrMax= 4.15D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 9.80D-07 BMatP= 5.96D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.149D-02-0.389D-01-0.182D-01 0.304D+00 0.752D+00
 Coeff:      0.149D-02-0.389D-01-0.182D-01 0.304D+00 0.752D+00
 Gap=     0.379 Goal=   None    Shift=    0.000
 RMSDP=2.58D-05 MaxDP=7.43D-04 DE=-6.12D-06 OVMax= 3.46D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  1.52D-05    CP:  1.19D+00  1.13D+00  1.10D+00  1.15D+00  1.00D+00
 E= -385.711474359095     Delta-E=       -0.000001212303 Rises=F Damp=F
 DIIS: error= 8.75D-06 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -385.711474359095     IErMin= 6 ErrMin= 8.75D-06
 ErrMax= 8.75D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.14D-08 BMatP= 9.80D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.900D-03-0.112D-01-0.103D-01 0.205D-01 0.178D+00 0.822D+00
 Coeff:      0.900D-03-0.112D-01-0.103D-01 0.205D-01 0.178D+00 0.822D+00
 Gap=     0.379 Goal=   None    Shift=    0.000
 RMSDP=6.84D-06 MaxDP=1.77D-04 DE=-1.21D-06 OVMax= 1.04D-04

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  3.99D-06    CP:  1.19D+00  1.13D+00  1.10D+00  1.17D+00  1.06D+00
                    CP:  1.05D+00
 E= -385.711474421077     Delta-E=       -0.000000061982 Rises=F Damp=F
 DIIS: error= 2.21D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -385.711474421077     IErMin= 7 ErrMin= 2.21D-06
 ErrMax= 2.21D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.65D-09 BMatP= 4.14D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.179D-03-0.499D-03-0.145D-02-0.186D-01-0.529D-02 0.233D+00
 Coeff-Com:  0.793D+00
 Coeff:      0.179D-03-0.499D-03-0.145D-02-0.186D-01-0.529D-02 0.233D+00
 Coeff:      0.793D+00
 Gap=     0.379 Goal=   None    Shift=    0.000
 RMSDP=2.52D-06 MaxDP=6.68D-05 DE=-6.20D-08 OVMax= 4.26D-05

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  1.27D-06    CP:  1.19D+00  1.13D+00  1.10D+00  1.17D+00  1.08D+00
                    CP:  1.13D+00  1.05D+00
 E= -385.711474429587     Delta-E=       -0.000000008510 Rises=F Damp=F
 DIIS: error= 1.26D-06 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -385.711474429587     IErMin= 8 ErrMin= 1.26D-06
 ErrMax= 1.26D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.36D-09 BMatP= 5.65D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.103D-03 0.205D-02 0.163D-02-0.124D-01-0.373D-01-0.659D-01
 Coeff-Com:  0.339D+00 0.773D+00
 Coeff:     -0.103D-03 0.205D-02 0.163D-02-0.124D-01-0.373D-01-0.659D-01
 Coeff:      0.339D+00 0.773D+00
 Gap=     0.379 Goal=   None    Shift=    0.000
 RMSDP=8.02D-07 MaxDP=2.38D-05 DE=-8.51D-09 OVMax= 1.96D-05

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  4.70D-07    CP:  1.19D+00  1.13D+00  1.10D+00  1.17D+00  1.08D+00
                    CP:  1.15D+00  1.13D+00  9.08D-01
 E= -385.711474431566     Delta-E=       -0.000000001979 Rises=F Damp=F
 DIIS: error= 1.71D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -385.711474431566     IErMin= 9 ErrMin= 1.71D-07
 ErrMax= 1.71D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.89D-11 BMatP= 1.36D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.285D-04 0.426D-03 0.382D-03-0.169D-02-0.699D-02-0.223D-01
 Coeff-Com:  0.324D-01 0.147D+00 0.850D+00
 Coeff:     -0.285D-04 0.426D-03 0.382D-03-0.169D-02-0.699D-02-0.223D-01
 Coeff:      0.324D-01 0.147D+00 0.850D+00
 Gap=     0.379 Goal=   None    Shift=    0.000
 RMSDP=1.67D-07 MaxDP=5.17D-06 DE=-1.98D-09 OVMax= 3.42D-06

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  1.29D-07    CP:  1.19D+00  1.13D+00  1.10D+00  1.17D+00  1.08D+00
                    CP:  1.15D+00  1.14D+00  9.41D-01  1.05D+00
 E= -385.711474431621     Delta-E=       -0.000000000056 Rises=F Damp=F
 DIIS: error= 1.07D-07 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -385.711474431621     IErMin=10 ErrMin= 1.07D-07
 ErrMax= 1.07D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.52D-12 BMatP= 2.89D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.336D-05-0.123D-03-0.840D-04 0.109D-02 0.255D-02 0.698D-03
 Coeff-Com: -0.348D-01-0.543D-01 0.326D+00 0.759D+00
 Coeff:      0.336D-05-0.123D-03-0.840D-04 0.109D-02 0.255D-02 0.698D-03
 Coeff:     -0.348D-01-0.543D-01 0.326D+00 0.759D+00
 Gap=     0.379 Goal=   None    Shift=    0.000
 RMSDP=6.60D-08 MaxDP=1.85D-06 DE=-5.56D-11 OVMax= 1.33D-06

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  4.35D-08    CP:  1.19D+00  1.13D+00  1.10D+00  1.17D+00  1.08D+00
                    CP:  1.15D+00  1.14D+00  9.48D-01  1.11D+00  9.80D-01
 E= -385.711474431612     Delta-E=        0.000000000009 Rises=F Damp=F
 DIIS: error= 2.69D-08 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=10 EnMin= -385.711474431621     IErMin=11 ErrMin= 2.69D-08
 ErrMax= 2.69D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.22D-13 BMatP= 7.52D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.299D-05-0.617D-04-0.506D-04 0.395D-03 0.115D-02 0.193D-02
 Coeff-Com: -0.102D-01-0.250D-01 0.884D-02 0.174D+00 0.849D+00
 Coeff:      0.299D-05-0.617D-04-0.506D-04 0.395D-03 0.115D-02 0.193D-02
 Coeff:     -0.102D-01-0.250D-01 0.884D-02 0.174D+00 0.849D+00
 Gap=     0.379 Goal=   None    Shift=    0.000
 RMSDP=2.03D-08 MaxDP=5.80D-07 DE= 9.21D-12 OVMax= 4.91D-07

 Cycle  12  Pass 1  IDiag  1:
 RMSU=  1.30D-08    CP:  1.19D+00  1.13D+00  1.10D+00  1.17D+00  1.08D+00
                    CP:  1.15D+00  1.14D+00  9.47D-01  1.12D+00  1.03D+00
                    CP:  1.13D+00
 E= -385.711474431614     Delta-E=       -0.000000000002 Rises=F Damp=F
 DIIS: error= 1.38D-08 at cycle  12 NSaved=  12.
 NSaved=12 IEnMin=10 EnMin= -385.711474431621     IErMin=12 ErrMin= 1.38D-08
 ErrMax= 1.38D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.41D-14 BMatP= 4.22D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.272D-06 0.124D-05-0.190D-05-0.467D-04-0.578D-04 0.381D-03
 Coeff-Com:  0.213D-02 0.847D-03-0.403D-01-0.582D-01 0.214D+00 0.881D+00
 Coeff:      0.272D-06 0.124D-05-0.190D-05-0.467D-04-0.578D-04 0.381D-03
 Coeff:      0.213D-02 0.847D-03-0.403D-01-0.582D-01 0.214D+00 0.881D+00
 Gap=     0.379 Goal=   None    Shift=    0.000
 RMSDP=8.12D-09 MaxDP=2.33D-07 DE=-1.93D-12 OVMax= 3.58D-07

 SCF Done:  E(RwB97XD) =  -385.711474432     A.U. after   12 cycles
            NFock= 12  Conv=0.81D-08     -V/T= 2.0113
 KE= 3.813976527946D+02 PE=-1.746727088038D+03 EE= 5.537375973460D+02
 Leave Link  502 at Fri Aug 13 11:13:27 2021, MaxMem=  6442450944 cpu:             814.9 elap:             102.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   263
 NBasis=   263 NAE=    33 NBE=    33 NFC=     0 NFV=     0
 NROrb=    263 NOA=    33 NOB=    33 NVA=   230 NVB=   230

 **** Warning!!: The largest alpha MO coefficient is  0.75700555D+02

 Leave Link  801 at Fri Aug 13 11:13:28 2021, MaxMem=  6442450944 cpu:               0.4 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         5740 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    6442450944 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.085645
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          19
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 1.26D-13 8.33D-09 XBig12= 1.00D+00 3.88D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 1.26D-13 8.33D-09 XBig12= 2.04D-01 6.86D-02.
     11 vectors produced by pass  2 Test12= 1.26D-13 8.33D-09 XBig12= 3.49D-02 5.92D-02.
     11 vectors produced by pass  3 Test12= 1.26D-13 8.33D-09 XBig12= 2.78D-03 1.44D-02.
     11 vectors produced by pass  4 Test12= 1.26D-13 8.33D-09 XBig12= 2.03D-04 4.12D-03.
     11 vectors produced by pass  5 Test12= 1.26D-13 8.33D-09 XBig12= 8.35D-06 4.68D-04.
     11 vectors produced by pass  6 Test12= 1.26D-13 8.33D-09 XBig12= 3.14D-07 8.61D-05.
     11 vectors produced by pass  7 Test12= 1.26D-13 8.33D-09 XBig12= 8.12D-09 1.44D-05.
     11 vectors produced by pass  8 Test12= 1.26D-13 8.33D-09 XBig12= 1.67D-10 2.86D-06.
     10 vectors produced by pass  9 Test12= 1.26D-13 8.33D-09 XBig12= 3.16D-12 4.54D-07.
      8 vectors produced by pass 10 Test12= 1.26D-13 8.33D-09 XBig12= 6.44D-14 5.45D-08.
      1 vectors produced by pass 11 Test12= 1.26D-13 8.33D-09 XBig12= 6.52D-15 1.29D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 2.13D-14
 Solved reduced A of dimension   118 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.085645:
                1             2             3 
      1  0.127170D+03
      2  0.956930D+00  0.102921D+03
      3  0.148724D+01  0.642847D+01  0.709639D+02
 Isotropic polarizability for W=    0.085645      100.35 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.085645:
                 1             2             3 
      1   0.839814D+02  0.946806D+01  0.294059D+01
      2  -0.319408D+02 -0.138223D+02 -0.152183D+02
      3  -0.520405D+02  0.435420D+01  0.122777D+02
      4  -0.180604D+02  0.745443D+02  0.327732D+02
      5   0.291158D+02  0.340765D+02 -0.895365D+01
      6   0.128330D+02  0.954137D+01 -0.156850D+02
 Dipole-magnetic dipole polarizability for W=    0.085645:
                 1             2             3 
      1  -0.109161D+01  0.332678D+01  0.689439D+01
      2   0.649303D+01  0.134674D+02 -0.104840D+01
      3  -0.630227D+01 -0.405692D+02 -0.127600D+02
 DQ contribution to OR G for W=    0.085645:
                 1             2             3 
      1   0.130332D+01  0.247597D+02  0.200392D+02
      2  -0.261752D+02  0.199402D+02  0.430869D+02
      3  -0.275285D+02 -0.106485D+03 -0.212435D+02
 Optical Rotation G' tensor for W=    0.085645:
                 1             2             3 
      1   0.679530D+00 -0.263189D+01 -0.108419D+01
      2  -0.263189D+01 -0.194076D+01  0.247962D+01
      3  -0.108419D+01  0.247962D+01  0.877015D+00
 OR G Eigenvalues:    -4.1286    -0.3007     4.0452  Iso=     0.1281
 Eigenvectors:
   (1)   0.391806   0.855372  -0.338860
   (2)   0.696930  -0.035481   0.716261
   (3)  -0.600647   0.516797   0.610036
 w=    0.085645 a.u., Optical Rotation Beta=      0.1281 au.
 Molar Mass =    122.1664 grams/mole, [Alpha] ( 5320.0 A) =       49.72 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=   34716 ScalPx= 4.29D+01
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   34716 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 2.89D+02
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 2.11D-14 2.78D-09 XBig12= 1.00D+00 3.38D-01.
     30 vectors produced by pass  1 Test12= 2.11D-14 2.78D-09 XBig12= 5.83D-02 3.72D-02.
     30 vectors produced by pass  2 Test12= 2.11D-14 2.78D-09 XBig12= 1.92D-03 7.24D-03.
     30 vectors produced by pass  3 Test12= 2.11D-14 2.78D-09 XBig12= 2.64D-05 1.13D-03.
     30 vectors produced by pass  4 Test12= 2.11D-14 2.78D-09 XBig12= 4.01D-07 1.06D-04.
     30 vectors produced by pass  5 Test12= 2.11D-14 2.78D-09 XBig12= 4.35D-09 8.13D-06.
     30 vectors produced by pass  6 Test12= 2.11D-14 2.78D-09 XBig12= 3.19D-11 5.57D-07.
     30 vectors produced by pass  7 Test12= 2.11D-14 2.78D-09 XBig12= 2.02D-13 5.07D-08.
      7 vectors produced by pass  8 Test12= 2.11D-14 2.78D-09 XBig12= 1.56D-15 4.79D-09.
      4 vectors produced by pass  9 Test12= 2.11D-14 2.78D-09 XBig12= 1.46D-15 5.24D-09.
      3 vectors produced by pass 10 Test12= 2.11D-14 2.78D-09 XBig12= 2.65D-15 1.18D-08.
      1 vectors produced by pass 11 Test12= 2.11D-14 2.78D-09 XBig12= 3.69D-16 2.96D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 1.55D-15
 Solved reduced A of dimension   255 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   34716 ScalPx= 8.08D+02
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   34716 ScalPx= 8.08D+02
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   34716 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 1.18D+03
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.127170D+03  0.956930D+00  0.148724D+01
      2   0.956930D+00  0.102921D+03  0.642847D+01
      3   0.148724D+01  0.642847D+01  0.709639D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1  -0.109161D+01  0.332678D+01  0.689439D+01
      2   0.649303D+01  0.134674D+02 -0.104840D+01
      3  -0.630227D+01 -0.405692D+02 -0.127600D+02
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1   0.839814D+02  0.946806D+01  0.294059D+01
      2  -0.319408D+02 -0.138223D+02 -0.152183D+02
      3  -0.520405D+02  0.435420D+01  0.122777D+02
      4  -0.180604D+02  0.745443D+02  0.327732D+02
      5   0.291158D+02  0.340765D+02 -0.895365D+01
      6   0.128330D+02  0.954137D+01 -0.156850D+02
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    57 ND12= 1 LenFil=    2055:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.702626D+01  0.514889D+00 -0.147766D+00  0.201842D+01 -0.209754D+01
      2   0.514889D+00  0.411386D+00  0.417633D+00 -0.209754D+01  0.340821D+01
      3  -0.147766D+00  0.417633D+00  0.161584D+00  0.128412D+01 -0.239547D+01
                 6             7             8             9            10 
      1   0.128412D+01 -0.155261D+00  0.906989D+00 -0.123071D+01  0.478260D+01
      2  -0.239547D+01  0.906989D+00 -0.708608D+00  0.125865D+01  0.131175D+01
      3   0.995086D+00 -0.123071D+01  0.125865D+01 -0.162197D+01 -0.916567D+00
                11            12            13            14            15 
      1   0.131175D+01 -0.916567D+00  0.381970D+01  0.359069D+01 -0.173548D+01
      2   0.132188D+01 -0.112978D+01  0.359069D+01  0.110583D+01  0.345851D+01
      3  -0.112978D+01  0.191272D+01 -0.173548D+01  0.345851D+01  0.321217D+01
                16            17            18            19            20 
      1  -0.428895D+01 -0.163540D+01  0.431189D+01 -0.113088D+02  0.191082D+01
      2  -0.163540D+01  0.191597D+01  0.353789D+01  0.191082D+01 -0.152682D+01
      3   0.431189D+01  0.353789D+01  0.456676D+00 -0.943591D+00  0.405665D+00
                21            22            23            24            25 
      1  -0.943591D+00  0.508175D+00 -0.847412D+00 -0.565690D-01  0.407442D+00
      2   0.405665D+00 -0.847412D+00  0.605795D+00  0.254667D-02 -0.116919D+00
      3  -0.123618D+01 -0.565690D-01  0.254667D-02  0.162736D+00 -0.778097D+00
                26            27            28            29            30 
      1  -0.116919D+00 -0.778097D+00 -0.889528D+00 -0.117331D+01 -0.104733D+01
      2   0.108988D+00  0.268680D+00 -0.117331D+01 -0.847842D+00 -0.339370D+00
      3   0.268680D+00 -0.379815D+00 -0.104733D+01 -0.339370D+00 -0.116600D+01
                31            32            33            34            35 
      1  -0.320730D+01 -0.168210D+01 -0.703256D+00 -0.192412D+01 -0.700595D+00
      2  -0.168210D+01 -0.383888D+01 -0.241623D+01 -0.700595D+00 -0.244591D+01
      3  -0.703256D+00 -0.241623D+01 -0.279652D+01 -0.184420D+01 -0.254122D+01
                36            37            38            39            40 
      1  -0.184420D+01  0.902027D+01  0.153322D+01  0.661686D+00  0.906239D-01
      2  -0.254122D+01  0.153322D+01 -0.220843D+01  0.874178D+00 -0.248168D+01
      3  -0.428353D+01  0.661686D+00  0.874178D+00 -0.217821D+01  0.163169D+01
                41            42            43            44            45 
      1  -0.248168D+01  0.163169D+01  0.554379D+01  0.205873D+01 -0.351525D+01
      2   0.234936D+01 -0.284089D+01  0.205873D+01 -0.183008D+01 -0.308538D+01
      3  -0.284089D+01 -0.294238D+01 -0.351525D+01 -0.308538D+01 -0.190321D+00
                46            47            48            49            50 
      1  -0.175026D+02 -0.274056D+01  0.203286D+00 -0.339928D+01  0.113252D+01
      2  -0.274056D+01 -0.290287D+01 -0.617196D-01  0.113252D+01  0.872443D-02
      3   0.203286D+00 -0.617196D-01 -0.163351D+01  0.145413D+01 -0.294349D+00
                51            52            53            54            55 
      1   0.145413D+01 -0.854636D+00  0.138042D+01 -0.384181D+01  0.275979D+00
      2  -0.294349D+00  0.138042D+01 -0.429490D+00 -0.684009D+00 -0.985929D+00
      3  -0.184606D+00 -0.384181D+01 -0.684009D+00 -0.997013D+00  0.196236D+00
                56            57            58            59            60 
      1  -0.985929D+00  0.196236D+00 -0.178756D+01  0.562317D+00 -0.109544D+00
      2   0.160345D+01 -0.733417D+00  0.562317D+00 -0.596018D+01  0.231720D+01
      3  -0.733417D+00  0.109226D+01 -0.109544D+00  0.231720D+01 -0.192449D+01
                61            62            63            64            65 
      1   0.223512D-01 -0.336114D+00  0.399567D+00 -0.136451D+02 -0.214375D+01
      2  -0.336114D+00  0.160235D+01 -0.122397D+01 -0.214375D+01 -0.137636D+01
      3   0.399567D+00 -0.122397D+01  0.156362D+01  0.114670D+01  0.350804D+00
                66            67            68            69            70 
      1   0.114670D+01 -0.162309D+01 -0.144221D+01  0.235724D-01 -0.143513D+01
      2   0.350804D+00 -0.144221D+01 -0.985203D+00  0.431156D+00 -0.299595D+00
      3  -0.150741D+01  0.235724D-01  0.431156D+00 -0.263270D-01 -0.845209D+00
                71            72            73            74            75 
      1  -0.299595D+00 -0.845209D+00 -0.297845D+00  0.417620D+00  0.443043D+00
      2  -0.130880D+00  0.103466D+00  0.417620D+00  0.485060D+00 -0.773514D-02
      3   0.103466D+00 -0.138459D+00  0.443043D+00 -0.773514D-02  0.103100D+01
                76            77            78            79            80 
      1   0.151693D+01  0.131348D+00 -0.676966D+00  0.960589D+00 -0.180647D+00
      2   0.131348D+00  0.194825D+01  0.186678D+01 -0.180647D+00  0.180881D+01
      3  -0.676966D+00  0.186678D+01  0.329533D+01 -0.277779D+00  0.166730D+01
                81            82            83            84            85 
      1  -0.277779D+00  0.356967D+01 -0.682056D+00  0.472016D-01  0.804128D+01
      2   0.166730D+01 -0.682056D+00 -0.321695D+01 -0.834517D+00  0.198993D+00
      3   0.494673D+01  0.472016D-01 -0.834517D+00 -0.165281D+01  0.153185D+00
                86            87            88            89            90 
      1   0.198993D+00  0.153185D+00  0.302326D+01 -0.338358D+00 -0.191872D+01
      2   0.172674D+01 -0.791681D+00 -0.338358D+00 -0.168716D+01  0.320124D+01
      3  -0.791681D+00  0.139360D+01 -0.191872D+01  0.320124D+01  0.126556D+01
                91            92            93            94            95 
      1  -0.346474D+01 -0.326342D+00 -0.220898D+00  0.479706D+01  0.229573D+00
      2  -0.326342D+00  0.270461D+01 -0.295609D+00  0.229573D+00  0.142470D+01
      3  -0.220898D+00 -0.295609D+00  0.718003D+00 -0.350972D+00 -0.940389D+00
                96            97            98            99           100 
      1  -0.350972D+00  0.501133D+00 -0.839506D+00  0.193340D+01  0.571866D+01
      2  -0.940389D+00 -0.839506D+00 -0.121624D+01  0.348833D+01  0.453250D+00
      3   0.131143D+01  0.193340D+01  0.348833D+01  0.278125D+01 -0.560663D+00
               101           102           103           104           105 
      1   0.453250D+00 -0.560663D+00  0.120546D+01 -0.262006D+00 -0.134061D+01
      2   0.320148D+01  0.220818D+00 -0.262006D+00  0.347378D+00 -0.566640D+00
      3   0.220818D+00  0.221416D+01 -0.134061D+01 -0.566640D+00 -0.142224D+00
               106           107           108           109           110 
      1  -0.110676D+00 -0.140234D+01  0.512659D+01 -0.255692D+01 -0.752607D+00
      2  -0.140234D+01  0.164792D+00  0.324779D+00 -0.752607D+00  0.243864D+01
      3   0.512659D+01  0.324779D+00  0.929144D+00 -0.429251D+00  0.936812D+00
               111           112           113           114           115 
      1  -0.429251D+00 -0.551289D+01 -0.644094D+00 -0.105777D+01 -0.203332D+01
      2   0.936812D+00 -0.644094D+00 -0.131793D+01  0.120072D+01 -0.581550D+00
      3   0.168393D+01 -0.105777D+01  0.120072D+01 -0.132505D+01  0.278960D+01
               116           117           118           119           120 
      1  -0.581550D+00  0.278960D+01  0.465142D+01  0.239169D+01  0.577968D+00
      2   0.188507D+01 -0.300721D+01  0.239169D+01 -0.241634D+01 -0.811341D-01
      3  -0.300721D+01 -0.129926D+01  0.577968D+00 -0.811341D-01 -0.870728D+00
               121           122           123           124           125 
      1  -0.675705D+01 -0.949187D+00  0.311717D+00 -0.518667D+00  0.105510D+01
      2  -0.949187D+00 -0.189540D+01  0.112753D+01  0.105510D+01  0.106528D+01
      3   0.311717D+00  0.112753D+01 -0.107408D+01 -0.734206D+00 -0.316420D+01
               126           127           128           129           130 
      1  -0.734206D+00 -0.321340D+01  0.212857D+01  0.186339D+00  0.226329D+01
      2  -0.316420D+01  0.212857D+01 -0.266048D+01 -0.297306D+00 -0.275020D+01
      3  -0.304775D+01  0.186339D+00 -0.297306D+00 -0.397879D+00 -0.497604D+00
               131           132           133           134           135 
      1  -0.275020D+01 -0.497604D+00  0.152335D-01 -0.382385D+00 -0.459799D-01
      2   0.614062D+01  0.858488D+00 -0.382385D+00  0.111126D+01  0.199455D+00
      3   0.858488D+00  0.942646D+00 -0.459799D-01  0.199455D+00  0.151864D+00
               136           137           138           139           140 
      1   0.237578D+01  0.260999D+01  0.782642D+00  0.234921D+01  0.363504D+01
      2   0.260999D+01  0.284657D+01  0.781613D+00  0.363504D+01  0.868035D+01
      3   0.782642D+00  0.781613D+00  0.618117D+00  0.954832D+00  0.208360D+01
               141           142           143           144           145 
      1   0.954832D+00  0.718373D+00  0.109274D+01  0.317180D+00  0.127358D+02
      2   0.208360D+01  0.109274D+01  0.225972D+01  0.604225D+00  0.883982D+00
      3   0.143970D+01  0.317180D+00  0.604225D+00  0.423286D+00  0.119576D+01
               146           147           148           149           150 
      1   0.883982D+00  0.119576D+01  0.767338D+00  0.154380D+01  0.443651D+00
      2   0.846587D+00  0.449429D-01  0.154380D+01  0.352103D+00  0.172790D+00
      3   0.449429D-01  0.108003D+01  0.443651D+00  0.172790D+00  0.153130D+00
               151           152           153           154           155 
      1   0.142384D+01  0.466084D+00  0.180223D+00  0.439503D+01 -0.357822D+01
      2   0.466084D+00  0.124045D+00  0.311256D-01 -0.357822D+01  0.338912D+01
      3   0.180223D+00  0.311256D-01  0.189680D+00 -0.606747D+00  0.463661D+00
               156           157           158           159           160 
      1  -0.606747D+00 -0.348734D+01  0.423154D+01  0.894927D+00 -0.540289D+00
      2   0.463661D+00  0.423154D+01 -0.659281D+01 -0.116745D+01  0.690505D+00
      3   0.628831D+00  0.894927D+00 -0.116745D+01 -0.100998D+01  0.158809D+00
               161           162           163           164           165 
      1   0.690505D+00  0.158809D+00 -0.167243D+01 -0.177300D+01 -0.568048D+00
      2  -0.136197D+01 -0.301588D+00 -0.177300D+01 -0.209269D+01 -0.715537D+00
      3  -0.301588D+00 -0.231360D+00 -0.568048D+00 -0.715537D+00 -0.497904D+00
               166           167           168           169           170 
      1  -0.160296D+01 -0.209940D+01 -0.623059D+00 -0.754952D+00 -0.837164D+00
      2  -0.209940D+01 -0.750765D+01 -0.210623D+01 -0.837164D+00 -0.223595D+01
      3  -0.623059D+00 -0.210623D+01 -0.148017D+01 -0.185301D+00 -0.677568D+00
               171 
      1  -0.185301D+00
      2  -0.677568D+00
      3  -0.518319D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.301160D+00  0.660032D+00  0.853641D+00 -0.359341D-01 -0.362377D+01
      2   0.597511D+01 -0.769480D+00  0.176016D+01  0.117668D+00  0.324422D+01
      3   0.143471D+02 -0.424741D+01  0.149187D+01  0.234396D+01  0.106645D+02
                 6             7             8             9            10 
      1  -0.425223D+01 -0.233513D+01  0.372658D+01  0.584046D+00 -0.152299D+01
      2  -0.335063D+01 -0.284789D+01 -0.776312D+00  0.318349D+01  0.245563D+01
      3  -0.493375D+01  0.762734D+00 -0.189543D+01  0.321660D+01  0.168458D+01
                11            12            13            14            15 
      1  -0.491119D+00 -0.102583D+00  0.857548D+00  0.260501D+01  0.107412D+01
      2   0.163565D+01 -0.194130D+01  0.281538D+01 -0.552617D+01 -0.489267D+01
      3   0.810869D+00 -0.255081D+00  0.113784D+02 -0.314047D+01  0.757798D+01
                16            17            18            19            20 
      1   0.453925D+01  0.472489D+01 -0.170873D+01 -0.599678D+00  0.788830D+00
      2  -0.148058D+02 -0.838089D+01 -0.448805D+00 -0.620633D+01  0.287547D+00
      3  -0.108634D+01  0.676604D+01  0.524869D+01 -0.875660D+01 -0.381133D+01
                21            22            23            24            25 
      1   0.803005D+00  0.488651D+00 -0.178198D+00 -0.507815D+00  0.611003D+00
      2   0.457332D+01 -0.713498D-02 -0.891995D+00  0.100950D+00  0.132879D+01
      3   0.175678D+00 -0.119542D+01  0.273126D+00  0.389365D+00  0.234391D+00
                26            27            28            29            30 
      1   0.146951D+00 -0.370304D+00 -0.792672D+00  0.151019D+00 -0.957391D+00
      2  -0.366429D+00 -0.412133D-01  0.130060D+01  0.361592D+00  0.243617D+01
      3   0.461489D+00 -0.384524D+00 -0.243836D+01 -0.256865D+01 -0.150391D+00
                31            32            33            34            35 
      1  -0.188953D+00  0.128752D+01 -0.247814D+01 -0.116263D+01  0.121750D+01
      2  -0.599235D+00  0.408968D+01  0.519505D+01  0.276854D+00  0.390038D+01
      3   0.523599D+00 -0.714663D+01 -0.488048D+01  0.836951D+00 -0.500864D+01
                36            37            38            39            40 
      1  -0.238158D+01  0.357160D+01 -0.299541D+01 -0.153865D+01 -0.155621D+00
      2   0.700526D+01 -0.123126D+02 -0.446291D+01  0.813226D+01 -0.594373D+01
      3  -0.432304D+01 -0.305705D+01 -0.106638D+02  0.923242D+00 -0.468844D+01
                41            42            43            44            45 
      1   0.195696D+01 -0.980757D+01 -0.189910D+01 -0.478491D+01 -0.278392D+01
      2   0.992994D+01  0.596609D+01  0.558450D+01  0.701756D+01  0.364285D+01
      3   0.104521D+02 -0.103477D+02  0.135926D+01 -0.938801D+01 -0.537224D+01
                46            47            48            49            50 
      1  -0.230459D+00 -0.256510D+00 -0.130441D+00 -0.216399D+01 -0.350867D+01
      2  -0.269148D+01 -0.146582D+01 -0.151180D+01 -0.152014D+01  0.518505D+00
      3  -0.324111D+01  0.621455D+01  0.108314D+01  0.160845D+02  0.168301D+01
                51            52            53            54            55 
      1   0.729177D+00 -0.860748D-01  0.969155D+01  0.246734D+01 -0.156634D+01
      2   0.677412D+00 -0.127299D+02  0.306768D+00  0.661619D+00 -0.208684D+01
      3  -0.149562D+01  0.737189D+00  0.108313D+01 -0.743432D-01 -0.486800D+01
                56            57            58            59            60 
      1   0.189642D+01  0.115871D+01  0.125977D+01 -0.559246D+01 -0.996287D+00
      2   0.251870D+01 -0.191078D+01  0.307871D+01 -0.697556D+01  0.453490D+01
      3   0.486157D+01 -0.151785D+01  0.644820D+01 -0.155632D+02  0.598800D+01
                61            62            63            64            65 
      1   0.527617D+00  0.213449D+01  0.321318D+00 -0.660136D+00 -0.153859D+01
      2  -0.234474D+01  0.310430D+01 -0.374915D+01  0.941465D+01  0.813699D+00
      3  -0.688868D+00  0.433339D+01 -0.374707D+01  0.592841D+01 -0.554083D+01
                66            67            68            69            70 
      1  -0.156402D+01 -0.126946D+01 -0.575792D+00 -0.270895D+00 -0.108418D+01
      2   0.662144D+01  0.160359D+01 -0.238481D+00  0.345802D+00  0.155914D+01
      3   0.257778D+00 -0.138777D+01 -0.204784D+01  0.130524D+01 -0.283022D-01
                71            72            73            74            75 
      1   0.967315D+00 -0.113040D+00  0.131658D+01  0.139581D+01  0.552107D+00
      2  -0.345361D+00  0.105346D+01 -0.177021D+01 -0.827331D+00 -0.226231D+01
      3   0.500420D+00  0.142256D+01  0.179270D+01  0.980420D+00 -0.119861D+00
                76            77            78            79            80 
      1   0.435280D+00  0.521637D+01  0.358083D+01 -0.182907D+00  0.592318D+01
      2  -0.137552D+01 -0.540568D+01 -0.788727D+01 -0.274071D+01 -0.460439D+01
      3   0.153033D+01  0.530708D+01  0.534013D+01 -0.597184D+00  0.513098D+01
                81            82            83            84            85 
      1   0.619952D+01 -0.523921D+00  0.263285D+00  0.196560D+01 -0.880671D+00
      2  -0.119192D+02  0.215379D+01  0.230262D+00 -0.888124D+00  0.386604D+01
      3   0.497953D+01  0.295039D+01 -0.363139D+00  0.119371D+01  0.469331D+01
                86            87            88            89            90 
      1   0.260272D+00 -0.217556D+01  0.663657D+01  0.316114D+01  0.145644D+00
      2   0.112203D+01  0.919872D+00 -0.118474D+02 -0.898471D-01 -0.419237D+00
      3  -0.654691D+01  0.798903D+00 -0.627716D+00 -0.953794D+00 -0.557589D+01
                91            92            93            94            95 
      1   0.713192D+00  0.784987D+00 -0.104985D+01  0.150767D+01 -0.123675D+00
      2  -0.332901D+00  0.236379D+01  0.892400D+00  0.165334D+01 -0.311577D+01
      3  -0.638545D+00 -0.112833D+02 -0.252165D+01  0.388762D+01 -0.159649D+01
                96            97            98            99           100 
      1  -0.225670D+01 -0.512640D+01  0.108297D+01 -0.122471D+01  0.239509D+00
      2   0.327412D+01 -0.784673D+01  0.842667D+01  0.500978D+01  0.187596D+00
      3   0.184325D+01 -0.614930D+00  0.290408D+01 -0.426703D+01 -0.115181D+01
               101           102           103           104           105 
      1  -0.952323D+00 -0.757888D+00 -0.112271D+01 -0.313956D+01  0.987423D+00
      2  -0.119269D+00  0.596516D+01 -0.475544D+01 -0.706045D-01  0.173850D+00
      3  -0.671532D+01 -0.104220D+00  0.111029D+02  0.682209D+00  0.145674D+01
               106           107           108           109           110 
      1  -0.179212D+01  0.109348D+02  0.289919D+01 -0.642287D+00 -0.590285D+00
      2   0.714946D+01  0.181034D+01  0.158714D+01 -0.110479D+01  0.238360D+01
      3   0.443883D+01  0.118410D+01  0.933541D-01  0.165590D+01 -0.114369D+02
               111           112           113           114           115 
      1   0.179863D+01 -0.168329D+01 -0.119991D-02 -0.192736D+01  0.686835D+01
      2   0.268254D+01 -0.118092D+01  0.354369D+01 -0.377628D+01 -0.432430D+01
      3  -0.234662D+01  0.551674D+01  0.181244D+00 -0.219486D+01 -0.367633D+00
               116           117           118           119           120 
      1   0.308500D+01  0.160723D+01 -0.151084D+00  0.145788D+01 -0.132262D+01
      2  -0.995315D+01 -0.331587D+01  0.391513D+01  0.173967D+01 -0.303427D+00
      3  -0.429332D+01  0.371472D+01 -0.212952D+01 -0.247254D+01 -0.228077D+01
               121           122           123           124           125 
      1   0.148549D+01  0.540643D+00 -0.221291D+01 -0.514641D+01  0.152986D+01
      2   0.176907D+01 -0.109004D+01 -0.116954D+01 -0.132994D+02 -0.998266D+00
      3   0.221017D+01  0.727862D+01  0.241082D+00 -0.372678D+01 -0.903874D+00
               126           127           128           129           130 
      1  -0.656964D+00  0.450528D+00 -0.652473D+00  0.198565D+01  0.218754D+00
      2  -0.374262D+01  0.152516D+01 -0.711524D+00  0.360440D+00 -0.697368D+00
      3   0.509113D+01 -0.897435D+01  0.352980D+01  0.142247D+00  0.648524D+01
               131           132           133           134           135 
      1  -0.632178D-01 -0.320102D+01 -0.274721D+00  0.169466D+01  0.821974D-02
      2   0.118284D+01 -0.857219D+00 -0.136239D+01  0.563955D+00 -0.361925D+00
      3  -0.510937D+01 -0.119539D+01 -0.379506D+00 -0.658702D+00 -0.753220D-01
               136           137           138           139           140 
      1  -0.230424D+00  0.463037D-01 -0.179736D+01 -0.203199D+00  0.563753D+00
      2   0.414187D+00  0.736108D+00  0.185816D+01  0.594604D+00  0.310638D+01
      3  -0.753392D+00 -0.255827D+01 -0.483415D+00 -0.127596D+01 -0.125810D+02
               141           142           143           144           145 
      1  -0.420957D+01  0.583836D+00  0.189339D+01 -0.688590D+00 -0.119242D+00
      2   0.362546D+01 -0.403065D+00  0.180446D+00  0.962274D+00  0.159082D+01
      3  -0.274101D+01 -0.493073D+00 -0.340952D+01 -0.692086D+00 -0.191501D+00
               146           147           148           149           150 
      1   0.464696D+00 -0.462603D+00  0.126277D+00  0.221807D-01 -0.350169D+00
      2  -0.968876D-01  0.638089D+01  0.163946D+01  0.373147D+00  0.737511D+00
      3  -0.525499D+01  0.185104D+00 -0.366659D+01 -0.899897D+00 -0.405478D+00
               151           152           153           154           155 
      1   0.232597D+00  0.489752D+00 -0.338618D-01  0.243997D+00 -0.687524D+00
      2  -0.228386D+01 -0.375363D-01  0.586286D+00  0.128044D+00 -0.136284D+00
      3  -0.126134D+01 -0.755183D+00 -0.159623D+00  0.137243D+01 -0.453710D+01
               156           157           158           159           160 
      1   0.214553D+01  0.294187D+00  0.297368D+00 -0.336382D+01 -0.892676D+00
      2   0.265406D+01  0.768098D+00 -0.152004D+01 -0.349691D+01 -0.643919D+00
      3  -0.196740D+00 -0.304199D+01  0.109053D+02  0.145772D+01 -0.100271D+01
               161           162           163           164           165 
      1   0.147682D+01 -0.402256D+00  0.202673D+00  0.254979D+00 -0.157947D+01
      2   0.463233D+00 -0.439044D+00 -0.181130D+01 -0.126688D+01 -0.159826D-01
      3   0.248143D+01  0.444533D+00  0.598546D+01  0.359505D+01  0.130923D+01
               166           167           168           169           170 
      1   0.285904D+00  0.842250D+00 -0.384480D+01  0.466398D+00  0.236546D+01
      2  -0.182647D+01 -0.227609D+01 -0.120503D+00 -0.200508D+01 -0.701941D+00
      3   0.663775D+01  0.768513D+01  0.254161D+01  0.250503D+01  0.242142D+01
               171 
      1  -0.653950D+00
      2  -0.796686D-03
      3   0.460044D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.347719D+02  0.234821D+01  0.143513D+00 -0.753804D+01 -0.536782D+01
      2   0.191926D+02 -0.343445D+01 -0.132544D+01  0.165168D+01  0.128308D+02
      3   0.155792D+02  0.108624D+01  0.118193D+01  0.588636D+01 -0.746300D+01
      4   0.569050D+01  0.545742D+01 -0.179086D+01  0.184224D+02 -0.212015D+02
      5  -0.539806D+01 -0.184869D+01  0.619914D+01 -0.976021D+01  0.110018D+02
      6  -0.177611D+01  0.270058D+00 -0.224102D+01  0.420868D+01 -0.631682D+01
                 6             7             8             9            10 
      1   0.529859D+00  0.160682D+01  0.234717D+01 -0.347008D+01  0.888864D+01
      2   0.164569D+01 -0.123124D+01 -0.167419D+01 -0.479977D+01 -0.242715D+01
      3  -0.217555D+01 -0.375580D+00 -0.672980D+00  0.826985D+01 -0.646149D+01
      4   0.115524D+02 -0.654810D+01  0.489141D+01 -0.598772D+01 -0.333489D+01
      5  -0.760523D+01  0.117376D+02 -0.645090D+01  0.914435D+01  0.510588D+01
      6   0.116618D+02 -0.144273D+01  0.737667D+01 -0.595454D+01  0.218963D+01
                11            12            13            14            15 
      1   0.114092D+01 -0.112982D+01  0.459860D+01 -0.543000D+00  0.602569D+01
      2   0.144381D+01 -0.745944D+00  0.100756D+01 -0.349042D+00 -0.941202D+01
      3  -0.258472D+01  0.187577D+01 -0.560615D+01  0.892041D+00  0.338633D+01
      4  -0.112054D+02  0.398892D+01 -0.216260D+02 -0.242063D+01 -0.161088D+02
      5   0.450247D+01 -0.136066D+02  0.117575D+02 -0.153809D+02 -0.116365D+02
      6   0.232536D+00 -0.128126D+01 -0.447652D+01 -0.495955D+01 -0.137705D+02
                16            17            18            19            20 
      1   0.981768D+01  0.687317D+01 -0.173878D+01  0.620416D+02 -0.890354D+01
      2  -0.849981D+01 -0.312489D+01  0.443750D+01 -0.323947D+02  0.356537D+01
      3  -0.131787D+01 -0.374828D+01 -0.269872D+01 -0.296469D+02  0.533817D+01
      4   0.116396D+02 -0.961289D+01 -0.181067D+02 -0.221130D+02  0.108054D+02
      5  -0.246435D+02 -0.167227D+02 -0.913367D+00  0.139262D+02 -0.309018D+01
      6  -0.105238D+02 -0.104954D+02 -0.917014D+00 -0.203551D+01  0.144118D+01
                21            22            23            24            25 
      1   0.387116D+01  0.408125D+00  0.342517D+01  0.335772D+00 -0.123909D+01
      2  -0.312779D+01 -0.164350D+01 -0.562194D+00 -0.183902D+00 -0.519191D-01
      3  -0.743377D+00  0.123537D+01 -0.286298D+01 -0.151869D+00  0.129101D+01
      4  -0.265855D+01  0.729360D+01 -0.353508D+01  0.178617D+00  0.111761D+01
      5   0.822700D+01  0.315214D+00  0.700880D+00 -0.547242D+00  0.633205D+01
      6  -0.178960D+01  0.130272D+01 -0.292296D+00  0.151783D+01 -0.137214D+01
                26            27            28            29            30 
      1   0.823270D+00  0.318705D+01  0.283836D+01  0.213395D+01  0.289818D+01
      2   0.155555D+00 -0.250408D+01 -0.177773D+01 -0.100800D+01 -0.164785D+01
      3  -0.978824D+00 -0.682967D+00 -0.106064D+01 -0.112595D+01 -0.125033D+01
      4  -0.426852D+00 -0.172399D+01  0.719024D+01  0.820981D+01  0.343619D+01
      5  -0.143544D+01  0.223853D+01  0.614206D+01  0.339359D+01  0.912952D+01
      6   0.988216D+00 -0.311488D+00  0.436311D+01  0.166487D+01  0.239248D+01
                31            32            33            34            35 
      1   0.223707D+01 -0.688585D+01 -0.552070D+01  0.185840D+01 -0.583628D+01
      2  -0.856740D+00  0.727317D+01  0.344688D+01 -0.214680D+01  0.161113D+01
      3  -0.138033D+01 -0.387320D+00  0.207382D+01  0.288401D+00  0.422514D+01
      4   0.108458D+02  0.176482D+02  0.108452D+02  0.508051D+01  0.111557D+02
      5   0.495411D+01  0.103019D+02  0.120624D+02  0.123534D+02  0.108929D+02
      6   0.394443D+01  0.123042D+02  0.117908D+02  0.516587D+01  0.115341D+02
                36            37            38            39            40 
      1  -0.787968D+01 -0.567746D+02 -0.156734D+02  0.505495D+01 -0.142166D+02
      2  -0.329693D+01  0.229563D+02  0.117006D+02  0.875102D+00  0.797557D+01
      3   0.111766D+02  0.338183D+02  0.397279D+01 -0.593005D+01  0.624105D+01
      4   0.116579D+02 -0.193770D+02  0.827271D+01 -0.297047D+01  0.105343D+02
      5   0.178596D+02  0.696654D+01 -0.556472D+00  0.110638D+02 -0.556980D+01
      6   0.129920D+02  0.114768D+01 -0.706299D+01  0.417241D+01 -0.514649D+01
                41            42            43            44            45 
      1   0.209061D+02 -0.201982D+01 -0.528010D+01 -0.304148D+01  0.106192D+02
      2  -0.131321D+02  0.146805D+02  0.817966D+01  0.121862D+02 -0.398056D+01
      3  -0.777407D+01 -0.126607D+02 -0.289955D+01 -0.914474D+01 -0.663865D+01
      4  -0.599282D+01  0.117624D+02 -0.116933D+02  0.807280D+01  0.181529D+02
      5   0.755119D+01  0.141496D+02  0.218487D+02  0.161773D+02 -0.403545D+01
      6   0.698713D+01 -0.439468D+01  0.912224D+01 -0.730949D+00 -0.950941D+01
                46            47            48            49            50 
      1  -0.172741D+02 -0.943050D+00 -0.138385D+01  0.332846D+01 -0.806099D+01
      2   0.495918D+01  0.786343D-01 -0.103001D+00 -0.439781D+01  0.117804D+02
      3   0.123149D+02  0.864415D+00  0.148686D+01  0.106934D+01 -0.371937D+01
      4   0.986155D+01  0.410062D+01 -0.311800D-03 -0.947626D+01 -0.339550D+01
      5  -0.686653D+01 -0.751423D+00  0.551818D-01 -0.471567D+01  0.719802D+00
      6  -0.336493D+01  0.608880D+00  0.696028D+00 -0.318986D+01  0.485322D+01
                51            52            53            54            55 
      1  -0.567999D+00 -0.784774D+01 -0.217950D+01 -0.930998D+01 -0.110878D+01
      2   0.597561D+01  0.673974D+00  0.362365D+01 -0.291269D+01  0.294466D+01
      3  -0.540761D+01  0.717376D+01 -0.144415D+01  0.122227D+02 -0.183588D+01
      4   0.339681D+00 -0.600120D+01  0.106388D+00  0.256749D+01  0.152133D+01
      5   0.112441D+01  0.400266D+01  0.201976D+01 -0.642085D+00  0.928031D+00
      6  -0.225812D+00 -0.277487D+00  0.609369D+01 -0.346279D+01 -0.270113D+01
                56            57            58            59            60 
      1   0.990369D+01 -0.505307D+01  0.101623D+02 -0.229254D+02  0.953217D+01
      2  -0.858548D+01  0.165090D+01 -0.660323D+01  0.260447D+02 -0.629777D+01
      3  -0.131821D+01  0.340218D+01 -0.355909D+01 -0.311937D+01 -0.323440D+01
      4  -0.234887D+01  0.111032D+01  0.330129D+01  0.219561D+02 -0.882746D+01
      5  -0.488754D+00 -0.195983D+01 -0.387927D+01 -0.627489D+01  0.634357D+01
      6   0.553840D+01 -0.427185D+01  0.161225D+01 -0.183640D+02  0.117782D+02
                61            62            63            64            65 
      1  -0.198732D+01  0.718082D+01 -0.908846D+01  0.828686D+02  0.989754D+01
      2   0.349746D+00 -0.415222D+01  0.318620D+01 -0.405285D+02 -0.271111D+01
      3   0.163758D+01 -0.302860D+01  0.590226D+01 -0.423401D+02 -0.718643D+01
      4   0.640156D+00 -0.585052D+01  0.337062D+01  0.273984D+02  0.150528D+02
      5   0.687179D+00  0.329160D+01 -0.438850D+01 -0.219577D+02 -0.411813D+01
      6  -0.195640D+01  0.100548D+02 -0.653542D+01 -0.373015D+01 -0.294155D+01
                66            67            68            69            70 
      1  -0.242092D+01  0.702374D+01  0.551557D+01  0.317493D+00  0.696813D+01
      2   0.416349D+01 -0.124674D+01 -0.897889D+00 -0.103620D+01 -0.135919D+01
      3  -0.174258D+01 -0.577701D+01 -0.461768D+01  0.718710D+00 -0.560893D+01
      4  -0.266234D+01  0.144039D+02  0.752300D+01 -0.217427D+01  0.234226D+01
      5   0.134241D+02 -0.198270D+01 -0.311997D+01  0.811876D+00  0.868357D+01
      6   0.325894D+01 -0.214671D+01 -0.210086D+01  0.236138D+01  0.224476D+01
                71            72            73            74            75 
      1   0.652045D+00  0.557668D+01  0.327269D+01 -0.976478D+00 -0.553332D+01
      2  -0.589782D+00 -0.407329D+01 -0.306410D+01 -0.860071D-01  0.200618D+00
      3  -0.622626D-01 -0.150339D+01 -0.208594D+00  0.106249D+01  0.533271D+01
      4   0.881010D+00  0.833221D+00 -0.460556D+00 -0.126872D+01  0.108498D+00
      5   0.233306D-01 -0.206090D+00 -0.197768D+01  0.148975D+01 -0.292634D+00
      6   0.147424D+01  0.579285D+00  0.150718D+01  0.183829D+01 -0.280733D+00
                76            77            78            79            80 
      1  -0.468682D+01 -0.651408D+01 -0.547542D+01 -0.494098D+01 -0.359421D+01
      2   0.338624D+01 -0.384143D+00 -0.741463D+01  0.342929D+01 -0.597972D+01
      3   0.130057D+01  0.689822D+01  0.128900D+02  0.151169D+01  0.957393D+01
      4   0.391911D+00 -0.100327D+02 -0.911489D+01  0.316216D+00 -0.902214D+01
      5   0.644268D+01 -0.734291D+01 -0.143360D+02  0.594456D+01 -0.708979D+01
      6   0.251603D+00  0.687576D+01  0.669129D+01 -0.322033D+00  0.662045D+01
                81            82            83            84            85 
      1  -0.134048D+02  0.124415D+01  0.165094D+02  0.493114D+01 -0.492883D+01
      2  -0.120525D+02 -0.290161D+01 -0.122413D+02 -0.126850D+01  0.121650D+02
      3   0.254573D+02  0.165745D+01 -0.426809D+01 -0.366263D+01 -0.723615D+01
      4  -0.897418D+01  0.933272D+01 -0.113041D+02 -0.674120D+00  0.280491D+01
      5  -0.200332D+02  0.388777D+01 -0.134436D+01 -0.110953D+01  0.311990D+01
      6   0.460319D+01  0.264328D+01 -0.287575D+01 -0.410213D+01  0.806413D+01
                86            87            88            89            90 
      1   0.203964D+01  0.401342D+01 -0.313358D+00  0.646867D+01 -0.137971D+02
      2  -0.480062D+01 -0.345199D+01  0.531598D+01 -0.879852D+01  0.214567D+01
      3   0.276099D+01 -0.561427D+00 -0.500262D+01  0.232985D+01  0.116514D+02
      4   0.139446D+02  0.272445D+01  0.297586D+01  0.359620D+00  0.299754D+01
      5   0.270731D+01  0.753458D+00  0.447327D+01  0.240742D+01 -0.140037D+01
      6  -0.553220D+01  0.450730D+01 -0.270198D+01  0.122490D+02  0.223258D+00
                91            92            93            94            95 
      1   0.659528D+01 -0.216967D+02 -0.303011D+01  0.217623D+02  0.116022D+02
      2  -0.586494D+01  0.149250D+02  0.134674D+01 -0.183835D+02 -0.129947D+02
      3  -0.730346D+00  0.677170D+01  0.168338D+01 -0.337878D+01  0.139245D+01
      4  -0.131078D+02 -0.552699D+01 -0.482293D+01  0.957650D+01 -0.220083D+01
      5  -0.635494D+01 -0.325728D+01 -0.113419D+01  0.633646D+00 -0.674726D+01
      6  -0.556443D+01 -0.124522D+01  0.273278D+01 -0.515341D+01 -0.108732D+02
                96            97            98            99           100 
      1   0.406338D+01  0.443792D+01 -0.432508D+00 -0.531321D+01 -0.927026D+01
      2  -0.630416D+01 -0.775122D+01 -0.828565D+01 -0.513656D+01  0.674674D+01
      3   0.224078D+01  0.331330D+01  0.871816D+01  0.104498D+02  0.252352D+01
      4  -0.601419D+01 -0.423447D+01 -0.105408D+02  0.131238D+02 -0.177113D+01
      5   0.699627D+01  0.116626D+02  0.135103D+02  0.994435D+01 -0.552489D+01
      6   0.274110D+01  0.574329D+01  0.127258D+02  0.347589D+01  0.123278D+01
               101           102           103           104           105 
      1  -0.167684D+01 -0.605728D+01  0.799259D+01 -0.212918D+02 -0.873880D+01
      2   0.146849D+01  0.325536D+01 -0.544803D+01  0.172313D+02  0.994987D+01
      3   0.208354D+00  0.280192D+01 -0.254457D+01  0.406055D+01 -0.121107D+01
      4   0.217835D+02  0.143570D+01 -0.185597D+02 -0.495919D+01 -0.448599D+01
      5   0.119673D+01  0.135726D+02 -0.134115D+02 -0.173632D+01 -0.256004D+00
      6   0.770917D+00  0.167281D+01 -0.346707D+01  0.385954D+01 -0.150430D+01
               106           107           108           109           110 
      1  -0.677467D+01 -0.985934D+01  0.135267D+02  0.503865D+00  0.222574D+02
      2   0.121336D+01  0.744708D+01 -0.161894D+02 -0.359534D+01 -0.142962D+02
      3   0.556131D+01  0.241225D+01  0.266269D+01  0.309148D+01 -0.796119D+01
      4  -0.143508D+02 -0.102116D+01  0.834367D+00  0.173500D+02  0.347585D+01
      5   0.331736D+02  0.233244D+01  0.478969D+01  0.112255D+00  0.177915D+01
      6   0.745255D+00  0.500889D+01 -0.422401D+01  0.119671D+01 -0.278059D+01
               111           112           113           114           115 
      1   0.606978D+01 -0.251702D+02  0.564661D+01  0.819735D+00 -0.923858D+01
      2  -0.905872D+00  0.222909D+02 -0.826039D+01 -0.113761D+01  0.111246D+02
      3  -0.516391D+01  0.287924D+01  0.261379D+01  0.317878D+00 -0.188607D+01
      4   0.362953D+01  0.443678D+01  0.943780D+01  0.989637D+01  0.685929D-01
      5   0.531161D+01 -0.560274D+01  0.820430D+01 -0.727895D+01  0.178914D+02
      6  -0.483254D+01  0.765155D+01 -0.658154D+01  0.392973D+01 -0.653292D+01
               116           117           118           119           120 
      1   0.595044D+01  0.221926D+01  0.885399D+01 -0.118286D+02 -0.623790D+00
      2  -0.931995D+01 -0.756938D+01 -0.660687D+01  0.102124D+02 -0.262762D+00
      3   0.336951D+01  0.535012D+01 -0.224712D+01  0.161615D+01  0.886552D+00
      4   0.100671D+02 -0.139585D+02 -0.107327D+02 -0.180326D+02 -0.454964D+01
      5  -0.143942D+02 -0.820383D+01  0.884253D+00 -0.336876D+01 -0.344093D+01
      6   0.115433D+02 -0.131619D+01 -0.252217D+01 -0.140005D+01  0.284145D+01
               121           122           123           124           125 
      1   0.107882D+01  0.795391D+01  0.604640D+01  0.285746D+01  0.359896D+01
      2  -0.819023D+01 -0.987571D+01 -0.732125D+01 -0.550776D+01 -0.104218D+02
      3   0.711141D+01  0.192179D+01  0.127485D+01  0.265030D+01  0.682285D+01
      4   0.117686D+02 -0.122477D+02 -0.191246D+01 -0.307385D+00 -0.416866D+01
      5  -0.647773D+00 -0.250802D+01 -0.957989D+00  0.134187D+01 -0.512035D+01
      6  -0.599317D+01 -0.109955D+02  0.165107D+01  0.183787D+01  0.115726D+02
               126           127           128           129           130 
      1  -0.150623D+02 -0.435723D+01  0.773119D+01  0.108433D+01  0.835110D+01
      2  -0.394370D+00  0.627912D+01 -0.106876D+02 -0.972339D+00 -0.110674D+02
      3   0.154567D+02 -0.192189D+01  0.295636D+01 -0.111989D+00  0.271627D+01
      4  -0.654512D+01 -0.823863D+01  0.770675D+01  0.111190D+01  0.759559D+01
      5  -0.612314D+01 -0.672815D+00  0.127647D+01  0.118494D+01  0.124486D+01
      6   0.500956D+01  0.865016D+00 -0.133783D+01 -0.243891D+01 -0.227016D+01
               131           132           133           134           135 
      1  -0.216272D+02 -0.349815D+01  0.144094D+01 -0.373142D+01 -0.759915D+00
      2   0.290244D+02  0.291901D+01 -0.205014D+01  0.464602D+01  0.133582D+01
      3  -0.739729D+01  0.579141D+00  0.609205D+00 -0.914607D+00 -0.575900D+00
      4  -0.823271D+01 -0.963533D+00  0.105493D+01 -0.122918D+01 -0.169128D+01
      5  -0.133647D+01 -0.127621D+01  0.124324D+01 -0.797054D+00 -0.790312D+00
      6   0.470017D+01  0.551355D+01 -0.102958D+01  0.212889D+01  0.128933D+01
               136           137           138           139           140 
      1   0.610689D+01  0.490003D+01  0.115561D+01 -0.123597D+00 -0.135025D+02
      2   0.243334D+01  0.459298D+01  0.141717D+00  0.100128D+02  0.330629D+02
      3  -0.854023D+01 -0.949301D+01 -0.129733D+01 -0.988919D+01 -0.195603D+02
      4   0.190128D+02  0.227977D+02  0.571672D+01  0.238327D+02  0.443724D+02
      5   0.518269D+01  0.569714D+01  0.533498D+01  0.589580D+01  0.100701D+02
      6   0.374539D+01  0.437791D+01  0.340135D+01  0.573083D+01  0.132576D+02
               141           142           143           144           145 
      1  -0.347137D+01  0.526717D+00 -0.271844D+01 -0.213869D+01  0.963448D+02
      2   0.510339D+01  0.186959D+01  0.685738D+01  0.265893D+01 -0.546655D+02
      3  -0.163202D+01 -0.239630D+01 -0.413894D+01 -0.520239D+00 -0.416792D+02
      4   0.102790D+02  0.674578D+01  0.119131D+02  0.420173D+01  0.905901D+01
      5   0.703572D+01  0.257609D+01  0.363195D+01  0.289404D+01  0.117865D+02
      6   0.949559D+01  0.240456D+01  0.566665D+01  0.386102D+01 -0.230457D+01
               146           147           148           149           150 
      1   0.630371D+01  0.756973D+01  0.462405D+01  0.902616D+01  0.184841D+01
      2  -0.309416D+01 -0.524466D+01 -0.206340D+01 -0.425705D+01 -0.153624D+01
      3  -0.320955D+01 -0.232507D+01 -0.256065D+01 -0.476910D+01 -0.312169D+00
      4   0.910583D+01  0.337504D+00  0.144097D+02  0.294734D+01  0.143076D+01
      5   0.392710D+00  0.113458D+02  0.351872D+01  0.162917D+01  0.127908D+01
      6   0.414181D+00  0.312245D+00  0.978534D+00 -0.173398D+00  0.148148D+01
               151           152           153           154           155 
      1   0.101544D+02  0.218342D+01  0.375482D+01  0.188905D+02 -0.119515D+02
      2  -0.593616D+01 -0.126138D+01 -0.261756D+01 -0.272920D+01 -0.193723D+01
      3  -0.421824D+01 -0.922037D+00 -0.113725D+01 -0.161613D+02  0.138887D+02
      4   0.397164D+01  0.150106D+01  0.846664D+00 -0.304261D+02  0.288797D+02
      5   0.423173D+01  0.560314D+00  0.211784D+01 -0.580794D+01  0.413984D+01
      6   0.130285D+00  0.742339D+00  0.419916D+00  0.208402D+01 -0.188665D+01
               156           157           158           159           160 
      1  -0.236965D+01 -0.776710D+01  0.156013D+01  0.621948D+00 -0.499852D+00
      2   0.810339D+00 -0.659852D+01  0.180920D+02  0.102774D+01 -0.140711D+01
      3   0.155931D+01  0.143656D+02 -0.196522D+02 -0.164968D+01  0.190696D+01
      4   0.409093D+01  0.317560D+02 -0.432221D+02 -0.745271D+01  0.544140D+01
      5   0.599799D+01  0.653745D+01 -0.785042D+01 -0.653087D+01  0.237425D+01
      6  -0.322552D+01 -0.408754D+01  0.586215D+01  0.626146D+01 -0.179685D+01
               161           162           163           164           165 
      1  -0.373441D+00 -0.542557D+00 -0.533276D+01 -0.820002D+01 -0.319358D+01
      2   0.308245D+01  0.112636D+01  0.626384D+01  0.945620D+01  0.216840D+01
      3  -0.270901D+01 -0.583800D+00 -0.931087D+00 -0.125617D+01  0.102518D+01
      4  -0.748662D+01 -0.319964D+01  0.410200D+01  0.695973D+01  0.159149D+01
      5  -0.248074D+01 -0.161718D+01  0.112563D+01  0.138467D+01  0.166081D+01
      6   0.298266D+01  0.202811D+01  0.302419D+01  0.437340D+01  0.298306D+01
               166           167           168           169           170 
      1  -0.777400D+01 -0.295711D+02 -0.914767D+01 -0.253827D+01 -0.859700D+01
      2   0.928528D+01  0.374023D+02  0.791841D+01  0.279363D+01  0.971299D+01
      3  -0.151128D+01 -0.783126D+01  0.122926D+01 -0.255360D+00 -0.111600D+01
      4   0.545778D+01  0.568354D+00 -0.467386D+00  0.174065D+01  0.410622D+00
      5   0.114976D+01 -0.589254D+00 -0.131354D+00  0.125567D+01  0.600730D+00
      6   0.367345D+01  0.139180D+02  0.947644D+01  0.151871D+01  0.538514D+01
               171 
      1  -0.368743D+01
      2   0.332738D+01
      3   0.360053D+00
      4   0.160093D+01
      5   0.852371D+00
      6   0.417778D+01
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Fri Aug 13 11:33:08 2021, MaxMem=  6442450944 cpu:            9425.5 elap:            1180.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -19.26933 -10.35848 -10.30590 -10.30059 -10.29990
 Alpha  occ. eigenvalues --  -10.29884 -10.29809 -10.29764 -10.29475  -1.12034
 Alpha  occ. eigenvalues --   -0.95465  -0.87586  -0.83804  -0.81900  -0.73442
 Alpha  occ. eigenvalues --   -0.69846  -0.66829  -0.60787  -0.60138  -0.55157
 Alpha  occ. eigenvalues --   -0.54090  -0.52668  -0.52290  -0.50488  -0.48156
 Alpha  occ. eigenvalues --   -0.47095  -0.45244  -0.44111  -0.42303  -0.41146
 Alpha  occ. eigenvalues --   -0.37216  -0.33082  -0.32235
 Alpha virt. eigenvalues --    0.05670   0.05926   0.07963   0.10082   0.11395
 Alpha virt. eigenvalues --    0.11920   0.13157   0.13810   0.15124   0.16622
 Alpha virt. eigenvalues --    0.16751   0.17558   0.19229   0.20106   0.21356
 Alpha virt. eigenvalues --    0.21788   0.22559   0.22810   0.23236   0.23615
 Alpha virt. eigenvalues --    0.24797   0.25031   0.26228   0.27066   0.27867
 Alpha virt. eigenvalues --    0.28447   0.28772   0.31237   0.31395   0.32301
 Alpha virt. eigenvalues --    0.32696   0.33394   0.33943   0.34346   0.35717
 Alpha virt. eigenvalues --    0.36160   0.36701   0.37399   0.38274   0.38684
 Alpha virt. eigenvalues --    0.39032   0.39928   0.40285   0.40976   0.41893
 Alpha virt. eigenvalues --    0.42327   0.42697   0.43523   0.44316   0.44962
 Alpha virt. eigenvalues --    0.45185   0.45708   0.46014   0.46436   0.47139
 Alpha virt. eigenvalues --    0.47690   0.48263   0.48571   0.48700   0.49446
 Alpha virt. eigenvalues --    0.49975   0.50363   0.50465   0.51161   0.51886
 Alpha virt. eigenvalues --    0.52322   0.53015   0.54714   0.54962   0.55556
 Alpha virt. eigenvalues --    0.56055   0.56957   0.58046   0.58372   0.58523
 Alpha virt. eigenvalues --    0.59751   0.60585   0.61401   0.62460   0.62820
 Alpha virt. eigenvalues --    0.64615   0.65318   0.65915   0.66727   0.68208
 Alpha virt. eigenvalues --    0.68658   0.69602   0.70665   0.71416   0.72078
 Alpha virt. eigenvalues --    0.73040   0.73849   0.75217   0.75895   0.76354
 Alpha virt. eigenvalues --    0.77764   0.79194   0.80378   0.81364   0.83260
 Alpha virt. eigenvalues --    0.83569   0.84396   0.85097   0.87091   0.88344
 Alpha virt. eigenvalues --    0.89731   0.90414   0.91883   0.95466   0.96203
 Alpha virt. eigenvalues --    0.97184   1.02820   1.03397   1.04193   1.05219
 Alpha virt. eigenvalues --    1.06443   1.06815   1.07624   1.08269   1.09157
 Alpha virt. eigenvalues --    1.09997   1.11995   1.13883   1.15151   1.16514
 Alpha virt. eigenvalues --    1.17204   1.20674   1.20920   1.21772   1.22060
 Alpha virt. eigenvalues --    1.23648   1.24276   1.25895   1.28445   1.29674
 Alpha virt. eigenvalues --    1.30771   1.32363   1.32722   1.34622   1.37747
 Alpha virt. eigenvalues --    1.38717   1.39762   1.42184   1.46677   1.47901
 Alpha virt. eigenvalues --    1.49431   1.50894   1.54632   1.57950   1.59255
 Alpha virt. eigenvalues --    1.66457   1.66864   1.67881   1.68075   1.69164
 Alpha virt. eigenvalues --    1.70992   1.71851   1.75100   1.75877   1.78918
 Alpha virt. eigenvalues --    1.80983   1.83017   1.83819   1.86488   1.90436
 Alpha virt. eigenvalues --    1.92903   1.94437   1.95959   1.97905   1.98978
 Alpha virt. eigenvalues --    1.99549   2.01270   2.03542   2.04971   2.06900
 Alpha virt. eigenvalues --    2.08096   2.10986   2.11362   2.12051   2.13433
 Alpha virt. eigenvalues --    2.15416   2.17715   2.18444   2.20359   2.21849
 Alpha virt. eigenvalues --    2.24836   2.27429   2.30285   2.32234   2.32953
 Alpha virt. eigenvalues --    2.37059   2.39560   2.42487   2.45001   2.45166
 Alpha virt. eigenvalues --    2.47499   2.48319   2.50332   2.51959   2.53629
 Alpha virt. eigenvalues --    2.56606   2.57791   2.59616   2.62400   2.66037
 Alpha virt. eigenvalues --    2.67709   2.73162   2.75733   2.78086   2.84596
 Alpha virt. eigenvalues --    2.93273   2.93794   2.95690   2.95715   3.01030
 Alpha virt. eigenvalues --    3.07317   3.09895   3.11553   3.13183   3.16208
 Alpha virt. eigenvalues --    3.19686   3.21579   3.24426   3.26829   3.31160
 Alpha virt. eigenvalues --    3.34218   3.45041   3.65238   3.80705   4.05307
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  O    8.226186   0.110152   0.217961  -0.031657  -0.006334  -0.023106
     2  C    0.110152   5.501056   0.045033   0.117712   0.371392   0.265276
     3  H    0.217961   0.045033   0.528952  -0.009825  -0.020526  -0.011530
     4  H   -0.031657   0.117712  -0.009825   0.987803   0.002030  -0.081352
     5  C   -0.006334   0.371392  -0.020526   0.002030   4.266628  -0.002715
     6  C   -0.023106   0.265276  -0.011530  -0.081352  -0.002715   8.630254
     7  H   -0.002932   0.084559   0.000358  -0.015830   0.282454  -0.016955
     8  H    0.024502  -0.017679  -0.005365   0.017530   0.293419   0.010622
     9  H   -0.021033   0.152698   0.005089  -0.008395   0.327221  -0.082441
    10  C   -0.068301  -0.419769   0.016816   0.049878  -0.011252  -0.385111
    11  C    0.033217   0.030561  -0.001482  -0.001944  -0.003108   0.344173
    12  C    0.002124   0.050943  -0.000223   0.000528   0.003278  -0.229639
    13  C    0.000902   0.056227  -0.000098   0.012336   0.000902   0.380447
    14  C   -0.008216  -0.421591   0.009934  -0.056356  -0.019516  -0.435454
    15  H   -0.047429  -0.122357   0.006836   0.002146  -0.003870  -0.804356
    16  H    0.004457   0.001219  -0.000237   0.000221   0.000935   0.001010
    17  H   -0.000655  -0.003936   0.000008  -0.000034  -0.000292   0.119110
    18  H    0.000882   0.007650  -0.000019  -0.001157   0.000865   0.047474
    19  H   -0.001796  -0.271530   0.002225   0.007746  -0.000462  -0.826851
               7          8          9         10         11         12
     1  O   -0.002932   0.024502  -0.021033  -0.068301   0.033217   0.002124
     2  C    0.084559  -0.017679   0.152698  -0.419769   0.030561   0.050943
     3  H    0.000358  -0.005365   0.005089   0.016816  -0.001482  -0.000223
     4  H   -0.015830   0.017530  -0.008395   0.049878  -0.001944   0.000528
     5  C    0.282454   0.293419   0.327221  -0.011252  -0.003108   0.003278
     6  C   -0.016955   0.010622  -0.082441  -0.385111   0.344173  -0.229639
     7  H    0.640757   0.023621  -0.010793  -0.007805  -0.000677   0.000038
     8  H    0.023621   0.601354  -0.025831   0.004397  -0.000687  -0.000155
     9  H   -0.010793  -0.025831   0.643879   0.011880  -0.002365  -0.000506
    10  C   -0.007805   0.004397   0.011880   7.279216  -0.484386   0.461384
    11  C   -0.000677  -0.000687  -0.002365  -0.484386   6.528149   0.090865
    12  C    0.000038  -0.000155  -0.000506   0.461384   0.090865   6.059043
    13  C    0.000358  -0.000489   0.000048  -0.095446   0.499581   0.045780
    14  C   -0.016082   0.004638   0.008449  -0.013588  -0.137088   0.464832
    15  H   -0.005626   0.000515   0.012222   0.261515  -0.415498  -0.079690
    16  H    0.000304  -0.000018  -0.000867  -0.294088   0.014937  -0.312730
    17  H   -0.000008   0.000005   0.000057  -0.007988  -0.294503   0.104669
    18  H   -0.000811  -0.000020  -0.000020   0.105022  -0.059209  -0.347881
    19  H    0.003736   0.001520   0.002934   0.051924   0.145701  -0.063303
              13         14         15         16         17         18
     1  O    0.000902  -0.008216  -0.047429   0.004457  -0.000655   0.000882
     2  C    0.056227  -0.421591  -0.122357   0.001219  -0.003936   0.007650
     3  H   -0.000098   0.009934   0.006836  -0.000237   0.000008  -0.000019
     4  H    0.012336  -0.056356   0.002146   0.000221  -0.000034  -0.001157
     5  C    0.000902  -0.019516  -0.003870   0.000935  -0.000292   0.000865
     6  C    0.380447  -0.435454  -0.804356   0.001010   0.119110   0.047474
     7  H    0.000358  -0.016082  -0.005626   0.000304  -0.000008  -0.000811
     8  H   -0.000489   0.004638   0.000515  -0.000018   0.000005  -0.000020
     9  H    0.000048   0.008449   0.012222  -0.000867   0.000057  -0.000020
    10  C   -0.095446  -0.013588   0.261515  -0.294088  -0.007988   0.105022
    11  C    0.499581  -0.137088  -0.415498   0.014937  -0.294503  -0.059209
    12  C    0.045780   0.464832  -0.079690  -0.312730   0.104669  -0.347881
    13  C    6.460468  -0.500358   0.128239  -0.056763  -0.303014   0.065835
    14  C   -0.500358   7.325007   0.083727   0.113393  -0.009870  -0.324655
    15  H    0.128239   0.083727   1.917058  -0.447562   0.048804  -0.015023
    16  H   -0.056763   0.113393  -0.447562   1.963293  -0.437003   0.051027
    17  H   -0.303014  -0.009870   0.048804  -0.437003   1.926947  -0.458195
    18  H    0.065835  -0.324655  -0.015023   0.051027  -0.458195   2.009066
    19  H   -0.453616   0.450041   0.040290  -0.016417   0.053428  -0.464093
              19
     1  O   -0.001796
     2  C   -0.271530
     3  H    0.002225
     4  H    0.007746
     5  C   -0.000462
     6  C   -0.826851
     7  H    0.003736
     8  H    0.001520
     9  H    0.002934
    10  C    0.051924
    11  C    0.145701
    12  C   -0.063303
    13  C   -0.453616
    14  C    0.450041
    15  H    0.040290
    16  H   -0.016417
    17  H    0.053428
    18  H   -0.464093
    19  H    2.086227
 Mulliken charges:
               1
     1  O   -0.408924
     2  C    0.462383
     3  H    0.216094
     4  H    0.008618
     5  C    0.518951
     6  C   -0.898856
     7  H    0.041334
     8  H    0.068121
     9  H   -0.012224
    10  C   -0.454297
    11  C   -0.286236
    12  C   -0.249357
    13  C   -0.241338
    14  C   -0.517246
    15  H    0.440057
    16  H    0.414891
    17  H    0.262474
    18  H    0.383261
    19  H    0.252294
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  O   -0.192831
     2  C    0.471001
     5  C    0.616182
     6  C   -0.898856
    10  C   -0.014240
    11  C    0.128656
    12  C    0.013117
    13  C    0.141923
    14  C   -0.264951
 Electronic spatial extent (au):  <R**2>=           1265.0413
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=             -1.1262    Y=             -1.2492    Z=              0.6268  Tot=              1.7949
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -44.4174   YY=            -52.2513   ZZ=            -58.0357
   XY=              1.6020   XZ=              0.0383   YZ=              2.7343
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=              7.1507   YY=             -0.6832   ZZ=             -6.4675
   XY=              1.6020   XZ=              0.0383   YZ=              2.7343
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=            -29.9313  YYY=              1.6771  ZZZ=             -0.9114  XYY=              2.0069
  XXY=              2.2457  XXZ=             -1.6897  XZZ=             -7.7258  YZZ=             -0.4592
  YYZ=              0.4830  XYZ=              0.8263
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=           -990.2914 YYYY=           -358.2179 ZZZZ=           -167.1268 XXXY=            -28.9185
 XXXZ=             30.1288 YYYX=             -5.3810 YYYZ=              8.2179 ZZZX=              3.5317
 ZZZY=             -0.4563 XXYY=           -246.6397 XXZZ=           -235.0662 YYZZ=            -93.2552
 XXYZ=              5.5070 YYXZ=              1.6454 ZZXY=              0.1582
 N-N= 4.258803634660D+02 E-N=-1.746727086623D+03  KE= 3.813976527946D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Fri Aug 13 11:33:09 2021, MaxMem=  6442450944 cpu:               2.5 elap:               0.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        =-4.53321986D-01-4.49613410D-01 2.20954456D-01
 Polarizability= 1.21709584D+02 1.23939462D+00 9.77839299D+01
                 1.42346116D+00 6.58963769D+00 6.53077565D+01
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 2     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 3     -0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 4     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 5     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 6      0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000       -0.7443   -0.7436        0.4833    0.4785
 2      0.7443    0.7436       -3.2142   -3.2142      -12.1251  -12.1243
 3     -0.4833   -0.4785       28.1032   28.1029        3.2146    3.2142
 4      3.2142    3.2142        0.0000    0.0000       -0.4805   -0.4785
 5    -15.9781  -15.9786        0.4805    0.4785       -0.7457   -0.7436
 6     -3.2146   -3.2142        0.7457    0.7436       -0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        2.2309    2.2309        1.4354    1.4354
 2      9.6427    9.6427       -0.0000    0.0000        1.4354    1.4354
 3      9.6427    9.6427        2.2309    2.2309       -0.0000    0.0000
 4      2.2309    2.2309       -9.6427   -9.6427      -36.3729  -36.3729
 5     -1.4354   -1.4354       84.3088   84.3088        9.6427    9.6427
 6    -47.9359  -47.9359        1.4354    1.4354       -2.2309   -2.2309
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.1749    0.0000        2.9208    2.9745       -1.8730   -1.9139
 2     -3.1877   -2.9745       12.9914   12.8569       48.9835   48.4972
 3      1.8835    1.9139     -112.3991 -112.4117      -12.8811  -12.8569
 4    -13.0541  -12.8569        0.0909    0.0000        1.7772    1.9139
 5     63.8334   63.9145       -1.9118   -1.9139        3.1048    2.9745
 6     13.0117   12.8569       -3.0740   -2.9745        0.0236    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0049    0.0000        0.6073    0.5921       -9.7773   -9.8198
 2     -0.6349   -0.5921      -41.5991  -41.6176      -29.2934  -29.1180
 3      9.9145    9.8198      -23.1614  -23.3367       41.9648   41.6176
 4     41.5283   41.6176        0.0493    0.0000        9.6827    9.8198
 5     52.7736   52.4547       -9.8499   -9.8198        1.0646    0.5921
 6    -41.4130  -41.6176       -0.6660   -0.5921        0.0850    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     20.0692   20.0997        2.3461    2.3754       19.5650   19.5744
 2     83.2292   83.4980       -5.1668   -5.1139       19.4048   19.5744
 3     83.2616   83.4980        2.3414    2.3754       17.8928   18.1589
 4      7.6066    7.4893      -63.1912  -63.3983      -37.2187  -37.2737
 5     -1.1742   -1.4155      -45.3002  -45.0936       63.3189   63.3983
 6     82.6177   82.3673        1.7837    1.4155       -6.8632   -7.4893
 Full mass-weighted force constant matrix:
 Low frequencies ---   -4.6511   -1.4476   -0.6406    0.0002    0.0005    0.0010
 Low frequencies ---   33.5755  131.6374  217.9885
 Diagonal vibrational polarizability:
        7.4278117       8.9598661      77.3602705
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   18796.99
                      1                      2                      3
                      A                      A                      A
 Frequencies --     33.5615               131.6371               217.9884
 Red. masses --      3.5907                 3.4745                 2.4037
 Frc consts  --      0.0024                 0.0355                 0.0673
 IR Inten    --      1.3167                 3.6066                 2.3221
 RamAct Fr= 1--      3.3678                 3.6390                 0.1643
  Dep-P Fr= 1--      0.7500                 0.7303                 0.4807
  Dep-U Fr= 1--      0.8571                 0.8442                 0.6493
 Alpha2 Fr= 1--      0.0000                 0.0012                 0.0009
 Beta2  Fr= 1--      0.4811                 0.5120                 0.0178
 AlphaG Fr= 1--      0.0000                 0.0018                -0.0013
 Gamma2 Fr= 1--     -0.5565                -0.4612                -0.1269
 Delta2 Fr= 1--     -0.6224                -0.2185                -0.0462
 Raman1 Fr= 1--      13.471                 14.556                  0.657
 ROA1   Fr= 1--     -73.341                -51.269                -13.659
 CID1   Fr= 1--      -5.444                 -3.522                -20.779
 Raman2 Fr= 1--       5.773                  6.144                  0.213
 ROA2   Fr= 1--      -8.376                 -9.321                 -2.676
 CID2   Fr= 1--      -1.451                 -1.517                -12.539
 Raman3 Fr= 1--      11.547                 12.287                  0.427
 ROA3   Fr= 1--     -73.341                -51.269                -13.659
 CID3   Fr= 1--      -6.352                 -4.172                -32.001
 RC180  Fr= 1--       0.714                  0.688                  0.299
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8    -0.02   0.11   0.19    -0.12  -0.02   0.02     0.15   0.08   0.07
     2   6     0.00   0.05  -0.05    -0.01   0.02  -0.04    -0.02  -0.02  -0.01
     3   1    -0.02   0.07   0.15    -0.10  -0.04   0.24     0.14   0.23   0.14
     4   1     0.01   0.19  -0.19    -0.09  -0.02   0.01    -0.16   0.02  -0.02
     5   6     0.00  -0.21  -0.14     0.25   0.03   0.08    -0.00   0.06   0.03
     6   6     0.00   0.03  -0.02    -0.00   0.05  -0.18    -0.01  -0.13  -0.06
     7   1     0.01  -0.26  -0.32     0.34   0.06   0.03    -0.32  -0.14  -0.15
     8   1     0.01  -0.20  -0.17     0.23  -0.02   0.30    -0.07   0.48   0.18
     9   1    -0.01  -0.36  -0.01     0.37   0.06   0.02     0.39  -0.11   0.08
    10   6     0.03   0.06  -0.16    -0.00   0.04  -0.14    -0.09  -0.09  -0.06
    11   6     0.03   0.04  -0.15    -0.02  -0.03   0.06    -0.12   0.02  -0.01
    12   6     0.00  -0.01   0.01    -0.04  -0.07   0.20    -0.05   0.07   0.03
    13   6    -0.03  -0.04   0.15    -0.04  -0.03   0.06     0.05   0.03   0.01
    14   6    -0.03  -0.02   0.14    -0.02   0.03  -0.14     0.06  -0.08  -0.04
    15   1     0.05   0.09  -0.27     0.01   0.05  -0.19    -0.16  -0.14  -0.09
    16   1     0.06   0.06  -0.26    -0.01  -0.05   0.14    -0.20   0.05  -0.00
    17   1     0.00  -0.03   0.02    -0.06  -0.13   0.39    -0.06   0.14   0.08
    18   1    -0.05  -0.08   0.27    -0.05  -0.06   0.14     0.12   0.08   0.04
    19   1    -0.05  -0.04   0.25    -0.03   0.05  -0.19     0.14  -0.12  -0.04
                      4                      5                      6
                      A                      A                      A
 Frequencies --    258.1857               272.1735               307.8811
 Red. masses --      1.0669                 1.3228                 3.0656
 Frc consts  --      0.0419                 0.0577                 0.1712
 IR Inten    --     96.3890                 8.1811                 1.1234
 RamAct Fr= 1--      1.2931                 0.2156                 1.4679
  Dep-P Fr= 1--      0.7240                 0.7285                 0.2256
  Dep-U Fr= 1--      0.8399                 0.8429                 0.3681
 Alpha2 Fr= 1--      0.0006                 0.0001                 0.0186
 Beta2  Fr= 1--      0.1810                 0.0303                 0.0901
 AlphaG Fr= 1--     -0.0022                 0.0006                 0.0005
 Gamma2 Fr= 1--      0.5503                 0.2730                -0.4029
 Delta2 Fr= 1--      0.2185                -0.0792                 0.0012
 Raman1 Fr= 1--       5.172                  0.862                  5.872
 ROA1   Fr= 1--      59.817                 23.675                -38.644
 CID1   Fr= 1--      11.565                 27.458                 -6.581
 Raman2 Fr= 1--       2.172                  0.363                  1.081
 ROA2   Fr= 1--      11.459                  7.185                 -9.680
 CID2   Fr= 1--       5.275                 19.773                 -8.957
 Raman3 Fr= 1--       4.345                  0.727                  2.161
 ROA3   Fr= 1--      59.817                 23.675                -38.644
 CID3   Fr= 1--      13.768                 32.575                -17.878
 RC180  Fr= 1--       0.680                  0.686                 -0.264
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8    -0.01  -0.02  -0.03    -0.06  -0.05  -0.07     0.07   0.06  -0.09
     2   6    -0.00  -0.00  -0.01     0.00   0.00  -0.01     0.02   0.04  -0.09
     3   1     0.03   0.29   0.92    -0.04  -0.01   0.20     0.08   0.18   0.09
     4   1    -0.00  -0.01  -0.00     0.05  -0.03   0.01    -0.00   0.06  -0.10
     5   6    -0.04   0.02  -0.02     0.02  -0.02  -0.01     0.24  -0.03  -0.03
     6   6     0.01  -0.01   0.00     0.00   0.04   0.03    -0.03  -0.01   0.02
     7   1     0.03   0.08   0.07    -0.35  -0.28  -0.33     0.52   0.09  -0.07
     8   1    -0.02  -0.10  -0.09    -0.06   0.48   0.15     0.25  -0.28   0.16
     9   1    -0.16   0.08  -0.05     0.47  -0.31   0.15     0.23   0.03  -0.08
    10   6     0.01  -0.01  -0.00     0.03   0.03   0.05    -0.08  -0.03   0.14
    11   6     0.00   0.00  -0.00     0.04   0.00   0.01    -0.08  -0.01   0.04
    12   6     0.01   0.01   0.00     0.02  -0.01  -0.03    -0.08   0.03  -0.14
    13   6     0.02   0.00   0.00    -0.02  -0.00   0.01    -0.07  -0.02   0.03
    14   6     0.02  -0.01   0.00    -0.02   0.03   0.04    -0.08  -0.05   0.14
    15   1    -0.00  -0.01  -0.01     0.05   0.04   0.07    -0.11  -0.06   0.21
    16   1    -0.00   0.01  -0.01     0.07  -0.01  -0.00    -0.07  -0.01   0.04
    17   1     0.01   0.01  -0.00     0.02  -0.03  -0.07    -0.06   0.07  -0.33
    18   1     0.02   0.01   0.00    -0.04  -0.02  -0.00    -0.06  -0.02   0.04
    19   1     0.03  -0.01  -0.00    -0.05   0.04   0.04    -0.11  -0.07   0.23
                      7                      8                      9
                      A                      A                      A
 Frequencies --    376.0551               413.8222               482.0566
 Red. masses --      4.2985                 2.9661                 3.3005
 Frc consts  --      0.3582                 0.2993                 0.4519
 IR Inten    --      6.2454                 0.2157                 1.6721
 RamAct Fr= 1--      1.4802                 0.0104                 3.0271
  Dep-P Fr= 1--      0.4751                 0.7499                 0.0954
  Dep-U Fr= 1--      0.6442                 0.8571                 0.1743
 Alpha2 Fr= 1--      0.0082                 0.0000                 0.0536
 Beta2  Fr= 1--      0.1589                 0.0015                 0.0879
 AlphaG Fr= 1--     -0.0059                 0.0000                 0.0000
 Gamma2 Fr= 1--      0.1835                -0.1555                 0.1792
 Delta2 Fr= 1--     -0.0147                -0.0228                -0.0608
 Raman1 Fr= 1--       5.921                  0.042                 12.108
 ROA1   Fr= 1--      17.144                -15.658                 15.263
 CID1   Fr= 1--       2.896               -374.652                  1.261
 Raman2 Fr= 1--       1.907                  0.018                  1.055
 ROA2   Fr= 1--       4.521                 -3.550                  4.788
 CID2   Fr= 1--       2.371               -198.217                  4.539
 Raman3 Fr= 1--       3.814                  0.036                  2.110
 ROA3   Fr= 1--      17.144                -15.658                 15.263
 CID3   Fr= 1--       4.495               -437.139                  7.234
 RC180  Fr= 1--       0.288                  0.714                 -0.651
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8     0.28  -0.05  -0.11    -0.00   0.00   0.01     0.06  -0.14   0.18
     2   6     0.06  -0.04   0.13     0.01  -0.00  -0.00     0.17  -0.11  -0.08
     3   1     0.27   0.28   0.11    -0.00  -0.02  -0.01     0.07  -0.27   0.14
     4   1     0.12  -0.10   0.17     0.02  -0.00  -0.01     0.24  -0.08  -0.12
     5   6    -0.01  -0.15   0.09     0.00   0.01  -0.01     0.03   0.12  -0.12
     6   6    -0.02   0.08   0.10     0.00  -0.00  -0.00     0.06   0.07  -0.03
     7   1     0.04  -0.17  -0.05     0.00   0.01   0.01    -0.27   0.10   0.22
     8   1     0.01  -0.22   0.01     0.00   0.01  -0.01     0.00   0.38  -0.27
     9   1    -0.08  -0.28   0.22    -0.01   0.02  -0.02     0.04   0.32  -0.30
    10   6    -0.02   0.13  -0.06    -0.02  -0.05   0.21    -0.03   0.10   0.02
    11   6    -0.02   0.05  -0.06     0.02   0.05  -0.20    -0.04   0.03   0.04
    12   6    -0.12  -0.05   0.10    -0.00   0.00  -0.00    -0.11  -0.02  -0.05
    13   6    -0.13  -0.00  -0.06    -0.02  -0.05   0.20    -0.08  -0.05  -0.00
    14   6    -0.11   0.08  -0.09     0.02   0.05  -0.20    -0.06   0.01   0.01
    15   1    -0.00   0.16  -0.16    -0.05  -0.11   0.44    -0.06   0.07   0.04
    16   1     0.06   0.03  -0.13     0.04   0.11  -0.44     0.05  -0.02   0.08
    17   1    -0.13  -0.14   0.22    -0.00   0.00  -0.01    -0.11  -0.04  -0.09
    18   1    -0.15  -0.00  -0.12    -0.04  -0.11   0.44    -0.07  -0.05   0.03
    19   1    -0.19   0.16  -0.21     0.04   0.11  -0.43    -0.17   0.05   0.05
                     10                     11                     12
                      A                      A                      A
 Frequencies --    544.1089               612.4865               638.1807
 Red. masses --      3.1831                 3.5630                 6.3810
 Frc consts  --      0.5552                 0.7875                 1.5312
 IR Inten    --     11.8020                14.4152                 0.1608
 RamAct Fr= 1--      0.7670                 0.9182                 4.3284
  Dep-P Fr= 1--      0.2237                 0.7490                 0.7459
  Dep-U Fr= 1--      0.3656                 0.8565                 0.8545
 Alpha2 Fr= 1--      0.0098                 0.0000                 0.0003
 Beta2  Fr= 1--      0.0467                 0.1311                 0.6164
 AlphaG Fr= 1--     -0.0037                 0.0004                -0.0028
 Gamma2 Fr= 1--      0.0366                 0.1109                -0.0233
 Delta2 Fr= 1--     -0.0519                 0.0622                -0.0282
 Raman1 Fr= 1--       3.068                  3.673                 17.314
 ROA1   Fr= 1--       1.854                 12.634                 -3.142
 CID1   Fr= 1--       0.604                  3.440                 -0.181
 Raman2 Fr= 1--       0.561                  1.573                  7.397
 ROA2   Fr= 1--       1.293                  2.163                 -0.334
 CID2   Fr= 1--       2.306                  1.375                 -0.045
 Raman3 Fr= 1--       1.122                  3.146                 14.794
 ROA3   Fr= 1--       1.854                 12.634                 -3.142
 CID3   Fr= 1--       1.652                  4.017                 -0.212
 RC180  Fr= 1--      -0.269                  0.713                  0.709
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8    -0.08   0.03   0.00    -0.10   0.04  -0.07    -0.00   0.03  -0.01
     2   6     0.05   0.05  -0.04     0.17   0.18   0.16     0.00   0.01   0.02
     3   1    -0.07  -0.15   0.03    -0.07  -0.24   0.03    -0.00   0.04   0.01
     4   1     0.16   0.10  -0.11     0.17   0.10   0.23     0.02   0.01   0.02
     5   6     0.09   0.06  -0.09    -0.01  -0.00   0.02    -0.01  -0.00   0.02
     6   6     0.01  -0.08   0.27     0.17  -0.02  -0.03    -0.01   0.14   0.03
     7   1     0.12   0.08  -0.08    -0.08  -0.10  -0.18    -0.00  -0.01  -0.01
     8   1     0.08   0.07   0.00     0.03  -0.04  -0.35    -0.01  -0.01   0.01
     9   1     0.16   0.09  -0.14    -0.29  -0.26   0.33    -0.02  -0.03   0.04
    10   6    -0.03  -0.02   0.04    -0.01   0.03  -0.03    -0.26   0.19   0.01
    11   6    -0.03   0.03  -0.13    -0.06   0.08   0.05    -0.23  -0.25  -0.07
    12   6    -0.06  -0.04   0.18    -0.17   0.02  -0.06     0.01  -0.14  -0.05
    13   6     0.03   0.00  -0.13     0.02  -0.11   0.01     0.28  -0.22  -0.02
    14   6     0.01  -0.06   0.03     0.04  -0.17  -0.07     0.22   0.22   0.06
    15   1    -0.05   0.01  -0.26    -0.18  -0.11   0.01    -0.13   0.27   0.06
    16   1     0.01   0.11  -0.46     0.00   0.01   0.17    -0.07  -0.33  -0.04
    17   1    -0.07  -0.02   0.21    -0.17   0.05  -0.03    -0.04   0.28   0.06
    18   1     0.10   0.11  -0.46     0.18  -0.02   0.16     0.14  -0.32  -0.02
    19   1     0.03   0.02  -0.25    -0.05  -0.15   0.01     0.06   0.28   0.08
                     13                     14                     15
                      A                      A                      A
 Frequencies --    714.0894               771.8462               778.9327
 Red. masses --      1.7591                 2.3856                 2.4142
 Frc consts  --      0.5285                 0.8373                 0.8630
 IR Inten    --     43.4969                25.5991                 7.1912
 RamAct Fr= 1--      0.0736                 7.7629                 8.1433
  Dep-P Fr= 1--      0.1256                 0.0447                 0.0654
  Dep-U Fr= 1--      0.2232                 0.0855                 0.1227
 Alpha2 Fr= 1--      0.0012                 0.1553                 0.1551
 Beta2  Fr= 1--      0.0027                 0.1107                 0.1666
 AlphaG Fr= 1--     -0.0006                -0.0351                 0.0190
 Gamma2 Fr= 1--     -0.0226                 0.6091                 0.6986
 Delta2 Fr= 1--      0.0153                 0.3149                 0.0785
 Raman1 Fr= 1--       0.294                 31.052                 32.573
 ROA1   Fr= 1--      -1.678                 68.549                 69.583
 CID1   Fr= 1--      -5.700                  2.208                  2.136
 Raman2 Fr= 1--       0.033                  1.328                  1.999
 ROA2   Fr= 1--      -0.664                 12.099                 16.139
 CID2   Fr= 1--     -20.207                  9.110                  8.075
 Raman3 Fr= 1--       0.066                  2.656                  3.998
 ROA3   Fr= 1--      -1.678                 68.549                 69.583
 CID3   Fr= 1--     -25.534                 25.808                 17.406
 RC180  Fr= 1--      -0.554                 -0.829                 -0.755
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8     0.00  -0.00  -0.00     0.00  -0.02   0.00    -0.02   0.04  -0.01
     2   6     0.00  -0.00   0.00     0.06   0.05   0.06    -0.10  -0.08  -0.08
     3   1     0.00   0.00   0.01     0.01  -0.12   0.03    -0.03   0.16  -0.04
     4   1    -0.02  -0.01   0.02     0.15   0.03   0.06    -0.03   0.03  -0.20
     5   6    -0.00  -0.00   0.00     0.05   0.05  -0.07    -0.05  -0.04   0.02
     6   6     0.01   0.03  -0.10    -0.06  -0.05   0.17     0.04  -0.03   0.14
     7   1    -0.02  -0.01   0.00     0.06   0.03  -0.15     0.07   0.05   0.15
     8   1     0.00   0.00  -0.03     0.07   0.02  -0.15    -0.09  -0.04   0.41
     9   1    -0.03  -0.01   0.02    -0.00  -0.03   0.01     0.22   0.14  -0.20
    10   6    -0.01  -0.01   0.07    -0.02  -0.08  -0.10     0.04   0.12  -0.02
    11   6     0.01   0.04  -0.14    -0.04  -0.09  -0.02     0.05   0.12   0.04
    12   6    -0.01  -0.02   0.07     0.09   0.04  -0.11    -0.09   0.01  -0.10
    13   6     0.01   0.03  -0.14    -0.05   0.08   0.03     0.05  -0.09  -0.02
    14   6    -0.01  -0.02   0.07    -0.03   0.07  -0.07     0.05  -0.06  -0.07
    15   1    -0.05  -0.10   0.48     0.01  -0.07   0.01    -0.02   0.08  -0.01
    16   1    -0.01  -0.05   0.19    -0.22  -0.15   0.44     0.17  -0.03   0.35
    17   1    -0.06  -0.14   0.55     0.03  -0.09   0.48    -0.13  -0.12   0.35
    18   1    -0.02  -0.06   0.21    -0.18  -0.10   0.46     0.13  -0.11   0.37
    19   1    -0.05  -0.13   0.50     0.02   0.01   0.06    -0.03  -0.06   0.03
                     16                     17                     18
                      A                      A                      A
 Frequencies --    859.6268               906.9440               927.8562
 Red. masses --      1.2499                 2.3304                 1.4043
 Frc consts  --      0.5442                 1.1294                 0.7123
 IR Inten    --      0.1331                19.8627                 4.2069
 RamAct Fr= 1--      1.5011                 3.6820                 1.3083
  Dep-P Fr= 1--      0.7344                 0.7397                 0.3836
  Dep-U Fr= 1--      0.8469                 0.8504                 0.5544
 Alpha2 Fr= 1--      0.0004                 0.0006                 0.0103
 Beta2  Fr= 1--      0.2119                 0.5219                 0.1209
 AlphaG Fr= 1--      0.0009                -0.0043                -0.0117
 Gamma2 Fr= 1--     -0.1125                -1.3895                -1.1238
 Delta2 Fr= 1--     -0.0213                -1.2052                 0.0840
 Raman1 Fr= 1--       6.004                 14.728                  5.233
 ROA1   Fr= 1--     -11.486               -171.955               -105.195
 CID1   Fr= 1--      -1.913                -11.675                -20.101
 Raman2 Fr= 1--       2.542                  6.262                  1.451
 ROA2   Fr= 1--      -2.530                -23.705                -27.643
 CID2   Fr= 1--      -0.995                 -3.785                -19.054
 Raman3 Fr= 1--       5.085                 12.525                  2.902
 ROA3   Fr= 1--     -11.486               -171.955               -105.195
 CID3   Fr= 1--      -2.259                -13.729                -36.255
 RC180  Fr= 1--       0.694                  0.701                  0.109
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8    -0.00   0.00  -0.00    -0.05   0.14  -0.06     0.01  -0.02   0.01
     2   6     0.00  -0.00   0.00     0.16  -0.05  -0.07    -0.01   0.01  -0.01
     3   1    -0.00  -0.00  -0.00    -0.03  -0.10   0.06     0.01   0.01  -0.01
     4   1     0.00   0.01  -0.00     0.25   0.13  -0.24    -0.09  -0.04   0.05
     5   6     0.00  -0.00  -0.00    -0.01  -0.14   0.13     0.00   0.01   0.01
     6   6     0.00  -0.00   0.00     0.04   0.01   0.00    -0.00   0.01  -0.07
     7   1    -0.01  -0.00   0.01    -0.34  -0.13   0.67    -0.01  -0.02  -0.05
     8   1     0.00   0.00  -0.01    -0.05   0.20   0.03     0.02  -0.01  -0.09
     9   1    -0.00  -0.00  -0.00    -0.01   0.18  -0.16    -0.07  -0.05   0.08
    10   6    -0.01  -0.02   0.06    -0.01  -0.04  -0.00    -0.01  -0.01   0.08
    11   6    -0.01  -0.02   0.08    -0.03  -0.06  -0.02     0.00   0.00   0.03
    12   6     0.00  -0.00   0.01     0.03   0.01  -0.01     0.01   0.02  -0.10
    13   6     0.01   0.02  -0.07    -0.05   0.05   0.00     0.01   0.00  -0.03
    14   6     0.01   0.02  -0.08    -0.02   0.02   0.02    -0.01  -0.03   0.11
    15   1     0.04   0.10  -0.43    -0.01  -0.04  -0.08     0.04   0.11  -0.42
    16   1     0.05   0.12  -0.51    -0.10  -0.03  -0.00     0.03   0.05  -0.19
    17   1     0.01   0.02  -0.07     0.02  -0.03   0.09    -0.06  -0.14   0.58
    18   1    -0.05  -0.12   0.45    -0.11   0.02   0.01    -0.00  -0.04   0.13
    19   1    -0.05  -0.13   0.51    -0.01   0.05  -0.07     0.06   0.14  -0.55
                     19                     20                     21
                      A                      A                      A
 Frequencies --    963.9874               984.8874              1020.1609
 Red. masses --      1.3182                 1.2729                 2.0420
 Frc consts  --      0.7217                 0.7275                 1.2521
 IR Inten    --      0.0681                 0.9658                 6.3733
 RamAct Fr= 1--      0.0347                 0.2639                22.5957
  Dep-P Fr= 1--      0.2472                 0.2126                 0.1466
  Dep-U Fr= 1--      0.3964                 0.3506                 0.2556
 Alpha2 Fr= 1--      0.0004                 0.0035                 0.3524
 Beta2  Fr= 1--      0.0023                 0.0154                 0.9627
 AlphaG Fr= 1--      0.0024                 0.0018                -0.0360
 Gamma2 Fr= 1--      0.1924                 0.1498                 2.9097
 Delta2 Fr= 1--     -0.0532                -0.0373                 2.8061
 Raman1 Fr= 1--       0.139                  1.056                 90.383
 ROA1   Fr= 1--      16.773                 13.188                369.130
 CID1   Fr= 1--     120.937                 12.493                  4.084
 Raman2 Fr= 1--       0.027                  0.185                 11.553
 ROA2   Fr= 1--       5.044                  3.895                 47.385
 CID2   Fr= 1--     183.512                 21.046                  4.102
 Raman3 Fr= 1--       0.055                  0.370                 23.106
 ROA3   Fr= 1--      16.773                 13.188                369.130
 CID3   Fr= 1--     305.119                 35.633                 15.976
 RC180  Fr= 1--      -0.207                 -0.299                 -0.489
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8     0.00   0.00  -0.00     0.00  -0.00   0.00     0.04  -0.08   0.02
     2   6     0.00   0.00  -0.00    -0.00   0.00  -0.01     0.04   0.14  -0.08
     3   1     0.00  -0.01   0.00     0.00   0.00  -0.01     0.06  -0.30   0.10
     4   1     0.02   0.00  -0.01    -0.03  -0.01   0.01     0.28   0.18  -0.20
     5   6    -0.01  -0.00   0.00     0.00   0.00   0.01    -0.15   0.00   0.04
     6   6     0.00  -0.00   0.01    -0.00   0.00  -0.01     0.05   0.03  -0.02
     7   1     0.01   0.01  -0.00    -0.01  -0.01  -0.01     0.26   0.12  -0.16
     8   1    -0.01  -0.00   0.03     0.01  -0.00  -0.04    -0.17  -0.22   0.62
     9   1     0.01   0.01  -0.01    -0.03  -0.01   0.03     0.19  -0.05   0.02
    10   6     0.01   0.01  -0.07    -0.01  -0.01   0.09     0.06  -0.10  -0.00
    11   6    -0.00  -0.01   0.03     0.01   0.03  -0.10    -0.03  -0.04  -0.02
    12   6    -0.01  -0.01   0.06     0.00  -0.01   0.06    -0.09   0.01  -0.01
    13   6     0.01   0.03  -0.11     0.00   0.01  -0.03    -0.01   0.02   0.00
    14   6    -0.01  -0.02   0.07    -0.00  -0.00   0.00     0.03   0.06   0.02
    15   1    -0.03  -0.08   0.34     0.04   0.13  -0.57     0.08  -0.08  -0.08
    16   1     0.01   0.03  -0.12    -0.06  -0.15   0.63    -0.08  -0.03  -0.01
    17   1     0.03   0.09  -0.36     0.04   0.09  -0.37    -0.10   0.06   0.03
    18   1    -0.06  -0.16   0.65    -0.02  -0.06   0.21     0.01   0.04  -0.01
    19   1     0.04   0.12  -0.47     0.01   0.02  -0.09    -0.01   0.08   0.02
                     22                     23                     24
                      A                      A                      A
 Frequencies --   1026.6378              1054.6141              1090.9288
 Red. masses --      4.7182                 2.1823                 1.7555
 Frc consts  --      2.9300                 1.4300                 1.2309
 IR Inten    --      1.2324                 5.9732                29.0194
 RamAct Fr= 1--     33.5765                17.4142                 0.4608
  Dep-P Fr= 1--      0.0571                 0.0480                 0.6251
  Dep-U Fr= 1--      0.1080                 0.0916                 0.7693
 Alpha2 Fr= 1--      0.6521                 0.3456                 0.0010
 Beta2  Fr= 1--      0.6044                 0.2660                 0.0591
 AlphaG Fr= 1--      0.0317                -0.0015                -0.0034
 Gamma2 Fr= 1--     -1.6326                -0.4456                -0.6666
 Delta2 Fr= 1--     -0.7072                -0.3200                -0.6574
 Raman1 Fr= 1--     134.306                 69.657                  1.843
 ROA1   Fr= 1--    -179.355                -53.015                -85.033
 CID1   Fr= 1--      -1.335                 -0.761                -46.135
 Raman2 Fr= 1--       7.252                  3.192                  0.709
 ROA2   Fr= 1--     -33.524                 -8.133                -10.741
 CID2   Fr= 1--      -4.623                 -2.548                -15.149
 Raman3 Fr= 1--      14.505                  6.384                  1.418
 ROA3   Fr= 1--    -179.355                -53.015                -85.033
 CID3   Fr= 1--     -12.365                 -8.305                -59.968
 RC180  Fr= 1--      -0.784                 -0.817                  0.539
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8     0.03  -0.05   0.01    -0.01   0.01  -0.00     0.01  -0.05  -0.00
     2   6     0.04   0.09  -0.05    -0.01  -0.03   0.01    -0.05   0.08   0.07
     3   1     0.05  -0.21   0.07    -0.01   0.05  -0.02    -0.01   0.23  -0.07
     4   1     0.15   0.14  -0.13    -0.07  -0.06   0.05     0.10   0.14  -0.02
     5   6    -0.09   0.00   0.03     0.01   0.01  -0.01     0.04  -0.07  -0.04
     6   6     0.04   0.02  -0.01     0.02  -0.00   0.00    -0.04   0.06  -0.01
     7   1     0.16   0.08  -0.09     0.01   0.00  -0.05    -0.10  -0.02   0.27
     8   1    -0.10  -0.14   0.38     0.01  -0.01  -0.03     0.00   0.19  -0.04
     9   1     0.11  -0.04   0.02    -0.01  -0.01   0.01     0.07   0.18  -0.27
    10   6    -0.18   0.24   0.04     0.03   0.08   0.02     0.09  -0.03   0.01
    11   6    -0.03  -0.06  -0.01    -0.00  -0.18  -0.04    -0.04  -0.05  -0.02
    12   6     0.31   0.04   0.04    -0.13  -0.02  -0.02    -0.02   0.07   0.02
    13   6    -0.03   0.04   0.01    -0.05   0.18   0.04     0.07  -0.05  -0.00
    14   6    -0.13  -0.29  -0.09     0.06  -0.06  -0.01    -0.08  -0.07  -0.02
    15   1    -0.17   0.26   0.07     0.31   0.27   0.09     0.38   0.17   0.04
    16   1    -0.04  -0.04  -0.05     0.35  -0.35  -0.04    -0.18   0.01  -0.01
    17   1     0.32   0.06   0.07    -0.14  -0.04  -0.03    -0.06   0.46   0.11
    18   1    -0.01   0.05  -0.01     0.24   0.40   0.13     0.28   0.09   0.05
    19   1    -0.11  -0.31  -0.07     0.39  -0.20  -0.02    -0.31   0.04  -0.04
                     25                     26                     27
                      A                      A                      A
 Frequencies --   1096.4884              1131.5845              1184.3171
 Red. masses --      2.4706                 1.9450                 1.1219
 Frc consts  --      1.7501                 1.4673                 0.9271
 IR Inten    --     22.9952                31.1954                 0.5690
 RamAct Fr= 1--     11.7022                 0.5673                 3.4647
  Dep-P Fr= 1--      0.2135                 0.6439                 0.7358
  Dep-U Fr= 1--      0.3519                 0.7834                 0.8478
 Alpha2 Fr= 1--      0.1533                 0.0011                 0.0008
 Beta2  Fr= 1--      0.6863                 0.0741                 0.4896
 AlphaG Fr= 1--      0.0856                -0.0087                 0.0001
 Gamma2 Fr= 1--     -0.3028                -0.5969                -0.0068
 Delta2 Fr= 1--     -0.4020                -0.1899                 0.1202
 Raman1 Fr= 1--      46.809                  2.269                 13.859
 ROA1   Fr= 1--     -41.929                -63.381                  3.189
 CID1   Fr= 1--      -0.896                -27.929                  0.230
 Raman2 Fr= 1--       8.236                  0.889                  5.875
 ROA2   Fr= 1--      -4.050                -12.808                 -1.126
 CID2   Fr= 1--      -0.492                -14.409                 -0.192
 Raman3 Fr= 1--      16.472                  1.778                 11.750
 ROA3   Fr= 1--     -41.929                -63.381                  3.189
 CID3   Fr= 1--      -2.546                -35.652                  0.271
 RC180  Fr= 1--      -0.296                  0.567                  0.696
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8    -0.03   0.07  -0.03     0.03  -0.10  -0.00    -0.00  -0.00   0.00
     2   6     0.02  -0.11   0.25    -0.06   0.19   0.05    -0.00  -0.01  -0.01
     3   1    -0.04   0.11  -0.03     0.01   0.15  -0.06    -0.01   0.07  -0.02
     4   1     0.24  -0.04   0.15     0.02   0.31  -0.10     0.02  -0.02   0.00
     5   6    -0.06  -0.02  -0.16     0.04  -0.08  -0.02     0.00   0.01   0.00
     6   6     0.07   0.02  -0.08    -0.04  -0.01  -0.01     0.02   0.01   0.00
     7   1     0.26   0.16  -0.05    -0.13  -0.04   0.34    -0.00  -0.00  -0.02
     8   1    -0.10  -0.02   0.41    -0.00   0.23  -0.04     0.00  -0.01  -0.01
     9   1     0.42   0.18  -0.45     0.02   0.19  -0.25    -0.01  -0.01   0.02
    10   6    -0.02  -0.01   0.02    -0.08   0.00  -0.01    -0.00  -0.01  -0.00
    11   6    -0.01  -0.01  -0.00     0.04   0.04   0.01     0.04  -0.03  -0.00
    12   6     0.02  -0.01  -0.00    -0.01  -0.05  -0.01    -0.01   0.07   0.02
    13   6    -0.04   0.02   0.00    -0.02   0.02   0.00    -0.04  -0.02  -0.01
    14   6     0.01   0.01   0.03     0.07   0.01   0.01     0.01  -0.01  -0.00
    15   1    -0.16  -0.09  -0.16    -0.31  -0.15  -0.06    -0.16  -0.12  -0.04
    16   1    -0.02   0.00  -0.00     0.24  -0.05   0.01     0.43  -0.20  -0.01
    17   1     0.03  -0.10  -0.01     0.03  -0.34  -0.08    -0.07   0.66   0.15
    18   1    -0.11  -0.03  -0.03    -0.09  -0.02  -0.01    -0.39  -0.26  -0.10
    19   1     0.03   0.04  -0.08     0.41  -0.13  -0.01     0.13  -0.06  -0.00
                     28                     29                     30
                      A                      A                      A
 Frequencies --   1196.1230              1206.7034              1249.7169
 Red. masses --      1.5091                 1.3240                 1.4066
 Frc consts  --      1.2721                 1.1359                 1.2943
 IR Inten    --     43.2589                17.9918                 6.8103
 RamAct Fr= 1--     11.0171                 5.2198                13.1235
  Dep-P Fr= 1--      0.1235                 0.5492                 0.1165
  Dep-U Fr= 1--      0.2198                 0.7090                 0.2087
 Alpha2 Fr= 1--      0.1820                 0.0200                 0.2206
 Beta2  Fr= 1--      0.4037                 0.6168                 0.4565
 AlphaG Fr= 1--      0.0338                 0.0020                -0.1337
 Gamma2 Fr= 1--      1.0680                -0.2454                -1.0852
 Delta2 Fr= 1--      0.4254                -0.2323                -0.0415
 Raman1 Fr= 1--      44.069                 20.879                 52.494
 ROA1   Fr= 1--     116.142                -30.991               -105.510
 CID1   Fr= 1--       2.635                 -1.484                 -2.010
 Raman2 Fr= 1--       4.844                  7.402                  5.479
 ROA2   Fr= 1--      22.228                 -4.031                -25.714
 CID2   Fr= 1--       4.589                 -0.545                 -4.694
 Raman3 Fr= 1--       9.688                 14.803                 10.957
 ROA3   Fr= 1--     116.142                -30.991               -105.510
 CID3   Fr= 1--      11.988                 -2.094                 -9.629
 RC180  Fr= 1--      -0.560                  0.418                 -0.583
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8    -0.03  -0.04   0.02     0.02   0.03  -0.01    -0.02   0.01   0.02
     2   6    -0.05  -0.00  -0.04     0.03  -0.00   0.02     0.05  -0.03  -0.02
     3   1    -0.07   0.56  -0.19     0.05  -0.37   0.12    -0.05   0.42  -0.12
     4   1     0.06  -0.04  -0.04    -0.06   0.04   0.01     0.75  -0.18  -0.06
     5   6     0.01   0.01   0.02    -0.00  -0.01  -0.01    -0.01   0.03   0.03
     6   6     0.17   0.03   0.03    -0.10  -0.02  -0.02    -0.12   0.07  -0.01
     7   1    -0.03  -0.02  -0.02     0.01   0.01   0.01     0.03   0.01  -0.10
     8   1     0.02  -0.01  -0.05    -0.01  -0.00   0.02     0.01  -0.06  -0.02
     9   1    -0.07  -0.04   0.09     0.03   0.01  -0.04    -0.01  -0.07   0.12
    10   6    -0.01  -0.02  -0.01    -0.05  -0.02  -0.01    -0.04  -0.04  -0.01
    11   6    -0.02  -0.06  -0.02     0.07   0.00   0.01     0.05   0.01   0.01
    12   6     0.02  -0.00   0.00    -0.00   0.00  -0.00    -0.01   0.02   0.00
    13   6    -0.02   0.05   0.01     0.06   0.01   0.01     0.01  -0.04  -0.01
    14   6    -0.01   0.01   0.00    -0.06   0.02   0.00    -0.00  -0.03  -0.01
    15   1    -0.40  -0.31  -0.10    -0.26  -0.17  -0.07    -0.02  -0.02  -0.02
    16   1     0.05  -0.09  -0.02     0.52  -0.20   0.00     0.04   0.02   0.01
    17   1     0.03  -0.07  -0.01    -0.01   0.04   0.01     0.01  -0.07  -0.01
    18   1     0.16   0.18   0.06     0.43   0.25   0.11     0.20   0.08   0.04
    19   1    -0.44   0.21   0.02    -0.34   0.14   0.00     0.24  -0.15  -0.01
                     31                     32                     33
                      A                      A                      A
 Frequencies --   1343.1258              1357.5819              1360.9025
 Red. masses --      3.6152                 1.3240                 1.3670
 Frc consts  --      3.8425                 1.4377                 1.4917
 IR Inten    --      2.7694                10.5122                 9.9445
 RamAct Fr= 1--      1.5096                 8.0437                 2.2422
  Dep-P Fr= 1--      0.3898                 0.4046                 0.2300
  Dep-U Fr= 1--      0.5609                 0.5761                 0.3740
 Alpha2 Fr= 1--      0.0116                 0.0586                 0.0281
 Beta2  Fr= 1--      0.1411                 0.7724                 0.1398
 AlphaG Fr= 1--      0.0322                -0.0136                 0.0027
 Gamma2 Fr= 1--     -0.6694                -2.1338                 0.9309
 Delta2 Fr= 1--     -0.5360                 0.4032                -0.4102
 Raman1 Fr= 1--       6.039                 32.175                  8.969
 ROA1   Fr= 1--     -81.414               -191.943                 76.243
 CID1   Fr= 1--     -13.482                 -5.966                  8.501
 Raman2 Fr= 1--       1.694                  9.268                  1.677
 ROA2   Fr= 1--     -11.777                -54.438                 25.625
 CID2   Fr= 1--      -6.954                 -5.873                 15.277
 Raman3 Fr= 1--       3.387                 18.537                  3.355
 ROA3   Fr= 1--     -81.414               -191.943                 76.243
 CID3   Fr= 1--     -24.035                -10.355                 22.727
 RC180  Fr= 1--       0.122                  0.152                 -0.252
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8     0.03   0.03  -0.00     0.00  -0.01  -0.02     0.02   0.01  -0.01
     2   6    -0.05   0.00  -0.03    -0.04  -0.08   0.07    -0.04  -0.04   0.02
     3   1     0.05  -0.36   0.11     0.01  -0.07   0.02     0.03  -0.20   0.06
     4   1    -0.39  -0.31   0.33     0.08   0.65  -0.63    -0.06   0.17  -0.17
     5   6     0.01  -0.02  -0.02     0.02   0.06   0.03     0.02   0.01   0.01
     6   6     0.02   0.24   0.07     0.01   0.02  -0.01     0.01   0.08   0.02
     7   1    -0.06  -0.03   0.06    -0.04  -0.02  -0.13    -0.04  -0.02  -0.04
     8   1    -0.01   0.01   0.04     0.06  -0.09  -0.14     0.02  -0.02  -0.04
     9   1     0.00   0.05  -0.09    -0.04  -0.04   0.12    -0.04   0.01   0.02
    10   6    -0.12  -0.09  -0.03    -0.04  -0.02  -0.01     0.09   0.04   0.02
    11   6     0.16  -0.10  -0.01     0.03  -0.01   0.00    -0.00  -0.02  -0.01
    12   6    -0.02   0.17   0.04    -0.01   0.05   0.01     0.01  -0.07  -0.02
    13   6    -0.16  -0.10  -0.04    -0.03  -0.01  -0.00    -0.00  -0.01  -0.00
    14   6     0.17  -0.08  -0.01     0.05  -0.02   0.00    -0.08   0.01  -0.00
    15   1    -0.08  -0.06  -0.02     0.13   0.10   0.03    -0.43  -0.33  -0.11
    16   1    -0.35   0.12  -0.01     0.02  -0.01  -0.00    -0.33   0.12  -0.01
    17   1     0.02  -0.16  -0.04     0.01  -0.09  -0.02    -0.03   0.29   0.07
    18   1     0.21   0.15   0.07    -0.05  -0.02  -0.01     0.24   0.15   0.06
    19   1    -0.04   0.02   0.01    -0.14   0.08  -0.01     0.45  -0.22  -0.02
                     34                     35                     36
                      A                      A                      A
 Frequencies --   1403.8523              1418.7476              1487.4354
 Red. masses --      1.2685                 1.4787                 1.3616
 Frc consts  --      1.4729                 1.7536                 1.7749
 IR Inten    --     12.5040                11.8986                15.9115
 RamAct Fr= 1--      1.8751                 3.4637                 1.5977
  Dep-P Fr= 1--      0.3930                 0.2209                 0.7491
  Dep-U Fr= 1--      0.5642                 0.3619                 0.8565
 Alpha2 Fr= 1--      0.0142                 0.0445                 0.0000
 Beta2  Fr= 1--      0.1763                 0.2089                 0.2281
 AlphaG Fr= 1--      0.0028                 0.0218                -0.0000
 Gamma2 Fr= 1--     -0.1815                 0.6428                 1.4171
 Delta2 Fr= 1--     -0.0634                 0.6166                -0.8751
 Raman1 Fr= 1--       7.500                 13.855                  6.391
 ROA1   Fr= 1--     -19.451                 81.438                108.037
 CID1   Fr= 1--      -2.593                  5.878                 16.905
 Raman2 Fr= 1--       2.116                  2.507                  2.737
 ROA2   Fr= 1--      -3.849                 10.493                 41.011
 CID2   Fr= 1--      -1.819                  4.186                 14.984
 Raman3 Fr= 1--       4.232                  5.014                  5.474
 ROA3   Fr= 1--     -19.451                 81.438                108.037
 CID3   Fr= 1--      -4.596                 16.242                 19.737
 RC180  Fr= 1--       0.128                 -0.276                  0.713
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8     0.01   0.01  -0.00     0.03   0.04  -0.00     0.01   0.00  -0.00
     2   6    -0.05  -0.00   0.01    -0.17   0.01  -0.00    -0.01   0.00  -0.00
     3   1     0.02  -0.10   0.03     0.06  -0.43   0.15     0.01  -0.05   0.01
     4   1     0.17  -0.05  -0.00     0.59  -0.26   0.05    -0.08  -0.02   0.04
     5   6     0.07   0.04  -0.12     0.05  -0.02   0.04    -0.02   0.04   0.01
     6   6     0.01  -0.00  -0.01     0.05  -0.00  -0.01    -0.01   0.08   0.02
     7   1    -0.35   0.02   0.46    -0.09  -0.16  -0.26    -0.25  -0.02   0.20
     8   1     0.01  -0.15   0.50     0.03   0.08  -0.10     0.08  -0.49  -0.28
     9   1    -0.30  -0.35   0.34    -0.18   0.27  -0.18     0.52  -0.08  -0.03
    10   6     0.00  -0.00   0.00     0.02   0.01   0.01     0.06  -0.02   0.00
    11   6    -0.01   0.00   0.00    -0.04  -0.00  -0.00    -0.07  -0.02  -0.01
    12   6    -0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.01   0.06   0.01
    13   6     0.01   0.01   0.00     0.02   0.03   0.01     0.08   0.01   0.01
    14   6    -0.00  -0.00   0.00     0.01  -0.02  -0.00    -0.04  -0.04  -0.01
    15   1     0.02   0.01  -0.01    -0.02  -0.03  -0.02    -0.08  -0.12  -0.03
    16   1     0.02  -0.01  -0.00     0.05  -0.05  -0.01     0.15  -0.12  -0.02
    17   1     0.00  -0.02  -0.01     0.01  -0.10  -0.02     0.03  -0.33  -0.08
    18   1    -0.03  -0.02  -0.01    -0.15  -0.08  -0.04    -0.17  -0.17  -0.06
    19   1    -0.01   0.01  -0.01    -0.12   0.04  -0.01     0.04  -0.08  -0.02
                     37                     38                     39
                      A                      A                      A
 Frequencies --   1490.9070              1497.1900              1536.1089
 Red. masses --      1.2745                 1.2342                 2.2488
 Frc consts  --      1.6691                 1.6300                 3.1264
 IR Inten    --      1.8942                 1.6597                 9.5742
 RamAct Fr= 1--      5.2908                 2.8724                 0.4629
  Dep-P Fr= 1--      0.6367                 0.4889                 0.4348
  Dep-U Fr= 1--      0.7780                 0.6568                 0.6061
 Alpha2 Fr= 1--      0.0109                 0.0149                 0.0030
 Beta2  Fr= 1--      0.6861                 0.3144                 0.0468
 AlphaG Fr= 1--      0.0446                -0.0115                 0.0037
 Gamma2 Fr= 1--      2.7273                -2.6499                -0.0851
 Delta2 Fr= 1--     -0.4484                 0.2586                 0.0289
 Raman1 Fr= 1--      21.163                 11.490                  1.852
 ROA1   Fr= 1--     247.468               -246.115                 -7.242
 CID1   Fr= 1--      11.693                -21.421                 -3.911
 Raman2 Fr= 1--       8.233                  3.773                  0.561
 ROA2   Fr= 1--      69.042                -65.666                 -2.273
 CID2   Fr= 1--       8.386                -17.404                 -4.051
 Raman3 Fr= 1--      16.465                  7.546                  1.122
 ROA3   Fr= 1--     247.468               -246.115                 -7.242
 CID3   Fr= 1--      15.030                -32.615                 -6.452
 RC180  Fr= 1--       0.556                  0.314                  0.212
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8     0.00   0.01  -0.00     0.01   0.01   0.00     0.00   0.01  -0.00
     2   6    -0.01  -0.04  -0.01    -0.07   0.02  -0.00    -0.05  -0.00  -0.00
     3   1     0.01  -0.06   0.02     0.02  -0.13   0.04     0.01  -0.07   0.02
     4   1    -0.04   0.03  -0.06     0.25  -0.09   0.00     0.01  -0.03   0.00
     5   6    -0.01  -0.04  -0.02    -0.04   0.00  -0.01    -0.01  -0.00   0.00
     6   6    -0.01   0.07   0.02     0.01  -0.05  -0.02     0.14   0.02   0.02
     7   1     0.50   0.25   0.11     0.24   0.24   0.40     0.05   0.05   0.08
     8   1    -0.08   0.58  -0.02     0.01   0.06  -0.42     0.00   0.02  -0.12
     9   1    -0.20  -0.21   0.20     0.43  -0.33   0.19     0.10  -0.06   0.03
    10   6     0.05  -0.01   0.00    -0.02   0.03   0.01    -0.05  -0.10  -0.03
    11   6    -0.05  -0.02  -0.01     0.05  -0.00   0.00    -0.13   0.09   0.01
    12   6    -0.01   0.06   0.01    -0.00  -0.05  -0.01     0.11   0.01   0.01
    13   6     0.06   0.00   0.01    -0.04   0.02   0.00    -0.10  -0.11  -0.04
    14   6    -0.03  -0.03  -0.01     0.05   0.01   0.01    -0.07   0.09   0.01
    15   1    -0.06  -0.10  -0.03    -0.02   0.04   0.01     0.37   0.18   0.07
    16   1     0.11  -0.10  -0.01    -0.15   0.09   0.01     0.46  -0.16   0.01
    17   1     0.03  -0.28  -0.06    -0.03   0.21   0.05     0.13  -0.00   0.01
    18   1    -0.13  -0.14  -0.05     0.03   0.07   0.02     0.40   0.22   0.10
    19   1     0.03  -0.07  -0.01    -0.12   0.08   0.01     0.42  -0.12   0.01
                     40                     41                     42
                      A                      A                      A
 Frequencies --   1631.1214              1652.1882              2977.4202
 Red. masses --      5.6125                 5.5688                 1.0833
 Frc consts  --      8.7979                 8.9563                 5.6584
 IR Inten    --      0.5345                 3.6393                39.9009
 RamAct Fr= 1--      7.9988                35.6312                97.7516
  Dep-P Fr= 1--      0.7294                 0.6233                 0.2157
  Dep-U Fr= 1--      0.8435                 0.7679                 0.3549
 Alpha2 Fr= 1--      0.0028                 0.0824                 1.2729
 Beta2  Fr= 1--      1.1245                 4.5603                 5.7815
 AlphaG Fr= 1--      0.0217                 0.0245                 1.4002
 Gamma2 Fr= 1--     -0.7649                 0.4213                 8.2395
 Delta2 Fr= 1--      0.0809                -0.1052                 3.3965
 Raman1 Fr= 1--      31.995                142.525                391.007
 ROA1   Fr= 1--     -70.841                 37.082                899.682
 CID1   Fr= 1--      -2.214                  0.260                  2.301
 Raman2 Fr= 1--      13.495                 54.723                 69.378
 ROA2   Fr= 1--     -19.004                 10.954                170.577
 CID2   Fr= 1--      -1.408                  0.200                  2.459
 Raman3 Fr= 1--      26.989                109.447                138.755
 ROA3   Fr= 1--     -70.841                 37.082                899.682
 CID3   Fr= 1--      -2.625                  0.339                  6.484
 RC180  Fr= 1--       0.687                  0.536                 -0.290
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8    -0.01  -0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
     2   6    -0.01   0.04   0.01     0.04   0.00   0.01    -0.02  -0.05  -0.06
     3   1    -0.01   0.03  -0.01    -0.00   0.04  -0.01     0.00  -0.00   0.00
     4   1     0.20  -0.03   0.00     0.00   0.03  -0.02     0.18   0.66   0.72
     5   6     0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.01   0.00
     6   6     0.02  -0.30  -0.07    -0.23  -0.01  -0.02     0.00  -0.00  -0.00
     7   1    -0.01  -0.00   0.02    -0.02  -0.01  -0.01     0.02  -0.03   0.01
     8   1     0.00  -0.01  -0.02    -0.00  -0.01   0.05    -0.07  -0.01  -0.01
     9   1     0.01   0.00  -0.00    -0.03   0.00   0.00    -0.01  -0.04  -0.04
    10   6     0.09   0.20   0.06     0.28   0.10   0.05     0.00   0.00  -0.00
    11   6     0.08  -0.19  -0.04    -0.27   0.05  -0.01     0.00  -0.00  -0.00
    12   6    -0.03   0.35   0.08     0.14  -0.01   0.01     0.00   0.00   0.00
    13   6    -0.06  -0.21  -0.06    -0.26  -0.08  -0.05    -0.00  -0.00   0.00
    14   6    -0.11   0.17   0.03     0.31  -0.07   0.01     0.00   0.00   0.00
    15   1    -0.30  -0.06  -0.04    -0.27  -0.29  -0.09    -0.00   0.00   0.00
    16   1    -0.23  -0.07  -0.04     0.26  -0.19  -0.02     0.00   0.00   0.00
    17   1     0.06  -0.47  -0.11     0.14   0.04   0.03     0.00   0.00  -0.00
    18   1     0.26  -0.01   0.02     0.19   0.24   0.08    -0.00   0.00  -0.00
    19   1     0.29   0.01   0.03    -0.36   0.23   0.03    -0.01  -0.01  -0.01
                     43                     44                     45
                      A                      A                      A
 Frequencies --   3022.6500              3088.7265              3111.4041
 Red. masses --      1.0384                 1.0970                 1.1026
 Frc consts  --      5.5896                 6.1663                 6.2887
 IR Inten    --     34.0758                32.9505                16.6192
 RamAct Fr= 1--    228.3856                76.2937                32.9680
  Dep-P Fr= 1--      0.0640                 0.7499                 0.7093
  Dep-U Fr= 1--      0.1202                 0.8571                 0.8299
 Alpha2 Fr= 1--      4.3633                 0.0002                 0.0233
 Beta2  Fr= 1--      4.5767                10.8981                 4.5601
 AlphaG Fr= 1--     -0.2474                -0.0006                -0.0476
 Gamma2 Fr= 1--      0.0071                -2.0718                -1.4929
 Delta2 Fr= 1--     -0.0512                 0.0739                -2.1812
 Raman1 Fr= 1--     913.542                305.175                131.872
 ROA1   Fr= 1--      -0.955               -196.532               -213.115
 CID1   Fr= 1--      -0.001                 -0.644                 -1.616
 Raman2 Fr= 1--      54.920                130.777                 54.721
 ROA2   Fr= 1--       0.580                -50.315                -18.379
 CID2   Fr= 1--       0.011                 -0.385                 -0.336
 Raman3 Fr= 1--     109.840                261.554                109.442
 ROA3   Fr= 1--      -0.955               -196.532               -213.115
 CID3   Fr= 1--      -0.009                 -0.751                 -1.947
 RC180  Fr= 1--      -0.760                  0.714                  0.660
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00   0.00
     2   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.01  -0.01
     3   1     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
     4   1     0.01   0.02   0.03     0.01   0.03   0.04     0.01   0.05   0.06
     5   6    -0.04  -0.01   0.03    -0.08   0.01  -0.05     0.01  -0.09  -0.03
     6   6     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
     7   1    -0.18   0.37  -0.11     0.22  -0.51   0.14    -0.29   0.61  -0.19
     8   1     0.76   0.09   0.09     0.61   0.08   0.06     0.04  -0.01  -0.00
     9   1    -0.09  -0.32  -0.34     0.08   0.36   0.38     0.13   0.46   0.51
    10   6     0.00  -0.00   0.00     0.00   0.00   0.00    -0.00   0.00   0.00
    11   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00  -0.00   0.00
    12   6    -0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
    13   6    -0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
    14   6     0.00   0.00   0.00     0.00  -0.00   0.00     0.00   0.00   0.00
    15   1    -0.00   0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
    16   1     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    17   1    -0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    18   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    19   1    -0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.01  -0.02  -0.01
                     46                     47                     48
                      A                      A                      A
 Frequencies --   3155.9405              3168.7983              3179.3961
 Red. masses --      1.0869                 1.0866                 1.0913
 Frc consts  --      6.3782                 6.4283                 6.4994
 IR Inten    --      8.9638                 0.6342                22.8144
 RamAct Fr= 1--     51.0435                95.2136                74.7711
  Dep-P Fr= 1--      0.4528                 0.5967                 0.7300
  Dep-U Fr= 1--      0.6234                 0.7474                 0.8439
 Alpha2 Fr= 1--      0.3093                 0.2708                 0.0257
 Beta2  Fr= 1--      5.3033                11.8609                10.5166
 AlphaG Fr= 1--     -0.1476                -0.0433                -0.0325
 Gamma2 Fr= 1--     -0.6235                 0.9175                -0.9035
 Delta2 Fr= 1--      0.5754                 0.4129                 0.5907
 Raman1 Fr= 1--     204.174                380.854                299.084
 ROA1   Fr= 1--     -41.446                101.291                -67.828
 CID1   Fr= 1--      -0.203                  0.266                 -0.227
 Raman2 Fr= 1--      63.640                142.330                126.199
 ROA2   Fr= 1--     -19.568                 18.717                -26.409
 CID2   Fr= 1--      -0.307                  0.132                 -0.209
 Raman3 Fr= 1--     127.279                284.661                252.398
 ROA3   Fr= 1--     -41.446                101.291                -67.828
 CID3   Fr= 1--      -0.326                  0.356                 -0.269
 RC180  Fr= 1--       0.247                  0.495                  0.688
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8     0.00   0.00   0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
     2   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     3   1    -0.00  -0.00   0.00    -0.00   0.00   0.00    -0.00  -0.00   0.00
     4   1     0.01   0.01   0.01     0.00   0.00   0.00     0.00   0.00   0.00
     5   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00   0.00
     6   6    -0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
     7   1    -0.01   0.01  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
     8   1     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
     9   1     0.00   0.01   0.01     0.00   0.00   0.00     0.00   0.00   0.00
    10   6    -0.00   0.00   0.00     0.01  -0.01  -0.00    -0.01   0.01   0.00
    11   6    -0.00  -0.01  -0.00     0.02   0.05   0.01    -0.02  -0.05  -0.01
    12   6     0.01   0.00   0.00    -0.05  -0.01  -0.01    -0.02   0.00  -0.00
    13   6    -0.02   0.03   0.01     0.01  -0.02  -0.00     0.04  -0.05  -0.01
    14   6    -0.03  -0.07  -0.02    -0.01  -0.02  -0.01    -0.01  -0.02  -0.01
    15   1     0.01  -0.02  -0.00    -0.09   0.12   0.02     0.09  -0.13  -0.02
    16   1     0.04   0.09   0.02    -0.27  -0.59  -0.17     0.24   0.53   0.15
    17   1    -0.15  -0.01  -0.02     0.61   0.05   0.07     0.28   0.02   0.03
    18   1     0.22  -0.31  -0.06    -0.15   0.20   0.04    -0.40   0.54   0.10
    19   1     0.35   0.79   0.24     0.11   0.25   0.08     0.11   0.23   0.07
                     49                     50                     51
                      A                      A                      A
 Frequencies --   3192.2772              3207.3527              3808.5397
 Red. masses --      1.0959                 1.0925                 1.0662
 Frc consts  --      6.5802                 6.6217                 9.1121
 IR Inten    --     19.4512                 4.1515                22.9054
 RamAct Fr= 1--    207.4190               128.0085               137.1955
  Dep-P Fr= 1--      0.1062                 0.1309                 0.2366
  Dep-U Fr= 1--      0.1921                 0.2314                 0.3827
 Alpha2 Fr= 1--      3.5764                 2.0766                 1.6876
 Beta2  Fr= 1--      6.6404                 4.9375                 8.7502
 AlphaG Fr= 1--     -0.2517                 0.1854                 0.1391
 Gamma2 Fr= 1--     -0.5332                 0.7628                 2.2057
 Delta2 Fr= 1--     -2.8232                 1.2366                -0.9436
 Raman1 Fr= 1--     829.676                512.034                548.782
 ROA1   Fr= 1--    -141.534                112.797                181.556
 CID1   Fr= 1--      -0.171                  0.220                  0.331
 Raman2 Fr= 1--      79.685                 59.249                105.002
 ROA2   Fr= 1--       9.788                  8.414                 60.486
 CID2   Fr= 1--       0.123                  0.142                  0.576
 Raman3 Fr= 1--     159.371                118.499                210.005
 ROA3   Fr= 1--    -141.534                112.797                181.556
 CID3   Fr= 1--      -0.888                  0.952                  0.865
 RC180  Fr= 1--      -0.616                 -0.537                 -0.235
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.06  -0.00   0.00
     2   6     0.00   0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
     3   1    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.99   0.06  -0.06
     4   1    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00  -0.00   0.00
     5   6     0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
     6   6     0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
     7   1     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     8   1    -0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
     9   1    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
    10   6    -0.01   0.01   0.00     0.05  -0.07  -0.01     0.00   0.00   0.00
    11   6    -0.01  -0.03  -0.01    -0.01  -0.02  -0.01     0.00  -0.00  -0.00
    12   6    -0.06  -0.01  -0.01    -0.01   0.00  -0.00     0.00   0.00   0.00
    13   6    -0.03   0.04   0.01    -0.00   0.00   0.00    -0.00   0.00   0.00
    14   6     0.01   0.01   0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
    15   1     0.13  -0.17  -0.03    -0.56   0.76   0.12     0.00   0.00   0.00
    16   1     0.12   0.28   0.08     0.11   0.25   0.07     0.00   0.00   0.00
    17   1     0.70   0.06   0.08     0.11   0.01   0.01     0.00   0.00   0.00
    18   1     0.33  -0.45  -0.08     0.03  -0.05  -0.01     0.00  -0.00   0.00
    19   1    -0.07  -0.14  -0.04    -0.00  -0.01  -0.00     0.00   0.00   0.00

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  8 and mass  15.99491
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  1 and mass   1.00783
 Atom     4 has atomic number  1 and mass   1.00783
 Atom     5 has atomic number  6 and mass  12.00000
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  1 and mass   1.00783
 Atom     8 has atomic number  1 and mass   1.00783
 Atom     9 has atomic number  1 and mass   1.00783
 Atom    10 has atomic number  6 and mass  12.00000
 Atom    11 has atomic number  6 and mass  12.00000
 Atom    12 has atomic number  6 and mass  12.00000
 Atom    13 has atomic number  6 and mass  12.00000
 Atom    14 has atomic number  6 and mass  12.00000
 Atom    15 has atomic number  1 and mass   1.00783
 Atom    16 has atomic number  1 and mass   1.00783
 Atom    17 has atomic number  1 and mass   1.00783
 Atom    18 has atomic number  1 and mass   1.00783
 Atom    19 has atomic number  1 and mass   1.00783
 Molecular mass:   122.07317 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --   519.290171584.083771862.35835
           X            0.99982   0.01579  -0.01030
           Y           -0.01559   0.99970   0.01900
           Z            0.01059  -0.01883   0.99977
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.16679     0.05468     0.04651
 Rotational constants (GHZ):           3.47540     1.13930     0.96906
 Zero-point vibrational energy     421954.3 (Joules/Mol)
                                  100.84950 (Kcal/Mol)
 Warning -- explicit consideration of  11 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:     48.29   189.40   313.64   371.47   391.60
          (Kelvin)            442.97   541.06   595.40   693.57   782.85
                              881.23   918.20  1027.42  1110.51  1120.71
                             1236.81  1304.89  1334.98  1386.96  1417.03
                             1467.78  1477.10  1517.35  1569.60  1577.60
                             1628.10  1703.97  1720.95  1736.18  1798.06
                             1932.46  1953.26  1958.04  2019.83  2041.26
                             2140.09  2145.08  2154.12  2210.12  2346.82
                             2377.13  4283.84  4348.92  4443.99  4476.62
                             4540.69  4559.19  4574.44  4592.97  4614.67
                             5479.64
 
 Zero-point correction=                           0.160714 (Hartree/Particle)
 Thermal correction to Energy=                    0.169146
 Thermal correction to Enthalpy=                  0.170090
 Thermal correction to Gibbs Free Energy=         0.127121
 Sum of electronic and zero-point Energies=           -386.115587
 Sum of electronic and thermal Energies=              -386.107154
 Sum of electronic and thermal Enthalpies=            -386.106210
 Sum of electronic and thermal Free Energies=         -386.149180
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  106.141             32.296             90.437
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             40.313
 Rotational               0.889              2.981             28.817
 Vibrational            104.363             26.335             21.307
 Vibration     1          0.594              1.983              5.607
 Vibration     2          0.612              1.922              2.922
 Vibration     3          0.646              1.814              1.976
 Vibration     4          0.667              1.749              1.674
 Vibration     5          0.675              1.725              1.582
 Vibration     6          0.698              1.659              1.374
 Vibration     7          0.747              1.521              1.055
 Vibration     8          0.777              1.440              0.913
 Vibration     9          0.838              1.290              0.705
 Vibration    10          0.899              1.153              0.557
 Vibration    11          0.972              1.005              0.429
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.337686D-58        -58.471486       -134.635573
 Total V=0       0.282951D+16         15.451712         35.578881
 Vib (Bot)       0.143767D-71        -71.842342       -165.423106
 Vib (Bot)    1  0.616772D+01          0.790125          1.819330
 Vib (Bot)    2  0.154805D+01          0.189785          0.436997
 Vib (Bot)    3  0.908166D+00         -0.041835         -0.096328
 Vib (Bot)    4  0.752963D+00         -0.123226         -0.283739
 Vib (Bot)    5  0.709277D+00         -0.149184         -0.343509
 Vib (Bot)    6  0.614928D+00         -0.211176         -0.486251
 Vib (Bot)    7  0.482117D+00         -0.316848         -0.729569
 Vib (Bot)    8  0.426305D+00         -0.370279         -0.852599
 Vib (Bot)    9  0.346331D+00         -0.460509         -1.060361
 Vib (Bot)   10  0.290049D+00         -0.537528         -1.237705
 Vib (Bot)   11  0.240656D+00         -0.618603         -1.424385
 Vib (V=0)       0.120464D+03          2.080856          4.791348
 Vib (V=0)    1  0.668796D+01          0.825294          1.900309
 Vib (V=0)    2  0.212679D+01          0.327726          0.754616
 Vib (V=0)    3  0.153671D+01          0.186592          0.429643
 Vib (V=0)    4  0.140385D+01          0.147322          0.339222
 Vib (V=0)    5  0.136780D+01          0.136022          0.313202
 Vib (V=0)    6  0.129255D+01          0.111447          0.256617
 Vib (V=0)    7  0.119458D+01          0.077214          0.177792
 Vib (V=0)    8  0.115707D+01          0.063358          0.145888
 Vib (V=0)    9  0.110823D+01          0.044630          0.102765
 Vib (V=0)   10  0.107804D+01          0.032634          0.075143
 Vib (V=0)   11  0.105490D+01          0.023212          0.053447
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.530132D+08          7.724384         17.786052
 Rotational      0.443069D+06          5.646471         13.001481
 
                                                          ROA calculations.
                                                             IR Spectrum
 
     3                 33333 33 32                                           11 1111111111111111111                                  
     8                 21111 10 09                                           66 54444433322111000009999 8 77 7 66 5 4  43 3222  1    
     0                 09765 18 27                                           53 39981065450983995228620 6 77 1 31 4 8  17 0751  3  3 
     9                 72996 19 37                                           21 67179418307642615705487 0 92 4 82 4 2  46 8288  2  4 
 
     X                 XXXXX XX XX                                           XX XXXXXXXXXXXXXXXXXXXXXXX X XX X XX X X  XX XXXX  X  X 
     X                  XX X XX XX                                              X  XXXXX  XX XXX      X    X X  X X        XX        
     X                  XX   XX XX                                                 X X    XX XXX      X    X X  X           X        
     X                  XX    X XX                                                        XX XXX      X    X X              X        
     X                   X    X XX                                                         X XXX           X X              X        
                              X XX                                                         X X X             X              X        
                              X XX                                                         X                 X              X        
                                 X                                                         X                 X              X        
                                                                                           X                 X              X        
                                                                                                                            X        
                                                                                                                            X        
                                                                                                                            X        
                                                                                                                            X        
                                                                                                                            X        
                                                                                                                            X        
                                                                                                                            X        
                                                                                                                            X        
                                                                                                                            X        
                                                                                                                            X        
                                                                                                                            X        
 
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        8           0.000017301   -0.000028225    0.000027327
      2        6          -0.000018651    0.000037003   -0.000022551
      3        1           0.000002026    0.000001570   -0.000011470
      4        1           0.000007142   -0.000007901    0.000011853
      5        6           0.000005849   -0.000005041    0.000004743
      6        6          -0.000015324    0.000016269   -0.000017094
      7        1          -0.000002483   -0.000006064    0.000003851
      8        1          -0.000011246   -0.000001754   -0.000000115
      9        1          -0.000000772    0.000001346    0.000002973
     10        6          -0.000019798   -0.000005855   -0.000006210
     11        6           0.000016556    0.000003706    0.000006219
     12        6           0.000013588    0.000016215    0.000005275
     13        6          -0.000005253   -0.000022204   -0.000003052
     14        6           0.000008027   -0.000005190    0.000002995
     15        1           0.000000034    0.000008820    0.000000151
     16        1          -0.000001129    0.000005478    0.000000307
     17        1           0.000004347   -0.000001090   -0.000000698
     18        1           0.000003096   -0.000001731   -0.000000606
     19        1          -0.000003308   -0.000005352   -0.000003901
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000037003 RMS     0.000011568
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.127170D+03  0.956930D+00  0.148724D+01
      2   0.956930D+00  0.102921D+03  0.642847D+01
      3   0.148724D+01  0.642847D+01  0.709639D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1  -0.109161D+01  0.332678D+01  0.689439D+01
      2   0.649303D+01  0.134674D+02 -0.104840D+01
      3  -0.630227D+01 -0.405692D+02 -0.127600D+02
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1   0.839814D+02  0.946806D+01  0.294059D+01
      2  -0.319408D+02 -0.138223D+02 -0.152183D+02
      3  -0.520405D+02  0.435420D+01  0.122777D+02
      4  -0.180604D+02  0.745443D+02  0.327732D+02
      5   0.291158D+02  0.340765D+02 -0.895365D+01
      6   0.128330D+02  0.954137D+01 -0.156850D+02
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    57 ND12= 1 LenFil=    2055:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.702626D+01  0.514889D+00 -0.147766D+00  0.201842D+01 -0.209754D+01
      2   0.514889D+00  0.411386D+00  0.417633D+00 -0.209754D+01  0.340821D+01
      3  -0.147766D+00  0.417633D+00  0.161584D+00  0.128412D+01 -0.239547D+01
                 6             7             8             9            10 
      1   0.128412D+01 -0.155261D+00  0.906989D+00 -0.123071D+01  0.478260D+01
      2  -0.239547D+01  0.906989D+00 -0.708608D+00  0.125865D+01  0.131175D+01
      3   0.995086D+00 -0.123071D+01  0.125865D+01 -0.162197D+01 -0.916567D+00
                11            12            13            14            15 
      1   0.131175D+01 -0.916567D+00  0.381970D+01  0.359069D+01 -0.173548D+01
      2   0.132188D+01 -0.112978D+01  0.359069D+01  0.110583D+01  0.345851D+01
      3  -0.112978D+01  0.191272D+01 -0.173548D+01  0.345851D+01  0.321217D+01
                16            17            18            19            20 
      1  -0.428895D+01 -0.163540D+01  0.431189D+01 -0.113088D+02  0.191082D+01
      2  -0.163540D+01  0.191597D+01  0.353789D+01  0.191082D+01 -0.152682D+01
      3   0.431189D+01  0.353789D+01  0.456676D+00 -0.943591D+00  0.405665D+00
                21            22            23            24            25 
      1  -0.943591D+00  0.508175D+00 -0.847412D+00 -0.565690D-01  0.407442D+00
      2   0.405665D+00 -0.847412D+00  0.605795D+00  0.254667D-02 -0.116919D+00
      3  -0.123618D+01 -0.565690D-01  0.254667D-02  0.162736D+00 -0.778097D+00
                26            27            28            29            30 
      1  -0.116919D+00 -0.778097D+00 -0.889528D+00 -0.117331D+01 -0.104733D+01
      2   0.108988D+00  0.268680D+00 -0.117331D+01 -0.847842D+00 -0.339370D+00
      3   0.268680D+00 -0.379815D+00 -0.104733D+01 -0.339370D+00 -0.116600D+01
                31            32            33            34            35 
      1  -0.320730D+01 -0.168210D+01 -0.703256D+00 -0.192412D+01 -0.700595D+00
      2  -0.168210D+01 -0.383888D+01 -0.241623D+01 -0.700595D+00 -0.244591D+01
      3  -0.703256D+00 -0.241623D+01 -0.279652D+01 -0.184420D+01 -0.254122D+01
                36            37            38            39            40 
      1  -0.184420D+01  0.902027D+01  0.153322D+01  0.661686D+00  0.906238D-01
      2  -0.254122D+01  0.153322D+01 -0.220843D+01  0.874178D+00 -0.248168D+01
      3  -0.428353D+01  0.661686D+00  0.874178D+00 -0.217821D+01  0.163169D+01
                41            42            43            44            45 
      1  -0.248168D+01  0.163169D+01  0.554379D+01  0.205873D+01 -0.351525D+01
      2   0.234936D+01 -0.284089D+01  0.205873D+01 -0.183008D+01 -0.308538D+01
      3  -0.284089D+01 -0.294238D+01 -0.351525D+01 -0.308538D+01 -0.190321D+00
                46            47            48            49            50 
      1  -0.175026D+02 -0.274056D+01  0.203286D+00 -0.339928D+01  0.113252D+01
      2  -0.274056D+01 -0.290287D+01 -0.617196D-01  0.113252D+01  0.872443D-02
      3   0.203286D+00 -0.617196D-01 -0.163351D+01  0.145413D+01 -0.294349D+00
                51            52            53            54            55 
      1   0.145413D+01 -0.854636D+00  0.138042D+01 -0.384181D+01  0.275979D+00
      2  -0.294349D+00  0.138042D+01 -0.429490D+00 -0.684009D+00 -0.985929D+00
      3  -0.184606D+00 -0.384181D+01 -0.684009D+00 -0.997013D+00  0.196236D+00
                56            57            58            59            60 
      1  -0.985929D+00  0.196236D+00 -0.178756D+01  0.562317D+00 -0.109544D+00
      2   0.160345D+01 -0.733417D+00  0.562317D+00 -0.596018D+01  0.231720D+01
      3  -0.733417D+00  0.109226D+01 -0.109544D+00  0.231720D+01 -0.192449D+01
                61            62            63            64            65 
      1   0.223512D-01 -0.336114D+00  0.399567D+00 -0.136451D+02 -0.214375D+01
      2  -0.336114D+00  0.160235D+01 -0.122397D+01 -0.214375D+01 -0.137636D+01
      3   0.399567D+00 -0.122397D+01  0.156362D+01  0.114670D+01  0.350804D+00
                66            67            68            69            70 
      1   0.114670D+01 -0.162309D+01 -0.144221D+01  0.235724D-01 -0.143513D+01
      2   0.350804D+00 -0.144221D+01 -0.985203D+00  0.431156D+00 -0.299595D+00
      3  -0.150741D+01  0.235724D-01  0.431156D+00 -0.263270D-01 -0.845209D+00
                71            72            73            74            75 
      1  -0.299595D+00 -0.845209D+00 -0.297845D+00  0.417620D+00  0.443043D+00
      2  -0.130880D+00  0.103466D+00  0.417620D+00  0.485060D+00 -0.773513D-02
      3   0.103466D+00 -0.138459D+00  0.443043D+00 -0.773513D-02  0.103100D+01
                76            77            78            79            80 
      1   0.151693D+01  0.131348D+00 -0.676966D+00  0.960589D+00 -0.180647D+00
      2   0.131348D+00  0.194825D+01  0.186678D+01 -0.180647D+00  0.180881D+01
      3  -0.676966D+00  0.186678D+01  0.329533D+01 -0.277779D+00  0.166730D+01
                81            82            83            84            85 
      1  -0.277779D+00  0.356967D+01 -0.682056D+00  0.472016D-01  0.804128D+01
      2   0.166730D+01 -0.682056D+00 -0.321695D+01 -0.834518D+00  0.198993D+00
      3   0.494673D+01  0.472016D-01 -0.834518D+00 -0.165281D+01  0.153185D+00
                86            87            88            89            90 
      1   0.198993D+00  0.153185D+00  0.302326D+01 -0.338359D+00 -0.191872D+01
      2   0.172674D+01 -0.791681D+00 -0.338359D+00 -0.168716D+01  0.320124D+01
      3  -0.791681D+00  0.139360D+01 -0.191872D+01  0.320124D+01  0.126556D+01
                91            92            93            94            95 
      1  -0.346474D+01 -0.326342D+00 -0.220898D+00  0.479706D+01  0.229573D+00
      2  -0.326342D+00  0.270461D+01 -0.295609D+00  0.229573D+00  0.142470D+01
      3  -0.220898D+00 -0.295609D+00  0.718003D+00 -0.350972D+00 -0.940389D+00
                96            97            98            99           100 
      1  -0.350972D+00  0.501133D+00 -0.839506D+00  0.193340D+01  0.571866D+01
      2  -0.940389D+00 -0.839506D+00 -0.121624D+01  0.348833D+01  0.453250D+00
      3   0.131143D+01  0.193340D+01  0.348833D+01  0.278125D+01 -0.560663D+00
               101           102           103           104           105 
      1   0.453250D+00 -0.560663D+00  0.120546D+01 -0.262006D+00 -0.134061D+01
      2   0.320148D+01  0.220818D+00 -0.262006D+00  0.347378D+00 -0.566640D+00
      3   0.220818D+00  0.221416D+01 -0.134061D+01 -0.566640D+00 -0.142224D+00
               106           107           108           109           110 
      1  -0.110676D+00 -0.140234D+01  0.512659D+01 -0.255692D+01 -0.752607D+00
      2  -0.140234D+01  0.164792D+00  0.324779D+00 -0.752607D+00  0.243864D+01
      3   0.512659D+01  0.324779D+00  0.929144D+00 -0.429251D+00  0.936812D+00
               111           112           113           114           115 
      1  -0.429251D+00 -0.551289D+01 -0.644094D+00 -0.105777D+01 -0.203332D+01
      2   0.936812D+00 -0.644094D+00 -0.131793D+01  0.120072D+01 -0.581550D+00
      3   0.168393D+01 -0.105777D+01  0.120072D+01 -0.132505D+01  0.278960D+01
               116           117           118           119           120 
      1  -0.581550D+00  0.278960D+01  0.465142D+01  0.239169D+01  0.577968D+00
      2   0.188507D+01 -0.300721D+01  0.239169D+01 -0.241634D+01 -0.811341D-01
      3  -0.300721D+01 -0.129926D+01  0.577968D+00 -0.811341D-01 -0.870728D+00
               121           122           123           124           125 
      1  -0.675705D+01 -0.949187D+00  0.311717D+00 -0.518666D+00  0.105510D+01
      2  -0.949187D+00 -0.189540D+01  0.112753D+01  0.105510D+01  0.106528D+01
      3   0.311717D+00  0.112753D+01 -0.107408D+01 -0.734206D+00 -0.316420D+01
               126           127           128           129           130 
      1  -0.734206D+00 -0.321340D+01  0.212857D+01  0.186339D+00  0.226329D+01
      2  -0.316420D+01  0.212857D+01 -0.266048D+01 -0.297306D+00 -0.275020D+01
      3  -0.304775D+01  0.186339D+00 -0.297306D+00 -0.397879D+00 -0.497604D+00
               131           132           133           134           135 
      1  -0.275020D+01 -0.497604D+00  0.152335D-01 -0.382385D+00 -0.459799D-01
      2   0.614062D+01  0.858488D+00 -0.382385D+00  0.111126D+01  0.199455D+00
      3   0.858488D+00  0.942646D+00 -0.459799D-01  0.199455D+00  0.151864D+00
               136           137           138           139           140 
      1   0.237579D+01  0.260999D+01  0.782642D+00  0.234921D+01  0.363504D+01
      2   0.260999D+01  0.284657D+01  0.781613D+00  0.363504D+01  0.868035D+01
      3   0.782642D+00  0.781613D+00  0.618117D+00  0.954832D+00  0.208360D+01
               141           142           143           144           145 
      1   0.954832D+00  0.718373D+00  0.109274D+01  0.317180D+00  0.127358D+02
      2   0.208360D+01  0.109274D+01  0.225972D+01  0.604225D+00  0.883982D+00
      3   0.143970D+01  0.317180D+00  0.604225D+00  0.423286D+00  0.119576D+01
               146           147           148           149           150 
      1   0.883982D+00  0.119576D+01  0.767337D+00  0.154380D+01  0.443651D+00
      2   0.846587D+00  0.449429D-01  0.154380D+01  0.352103D+00  0.172790D+00
      3   0.449429D-01  0.108003D+01  0.443651D+00  0.172790D+00  0.153130D+00
               151           152           153           154           155 
      1   0.142384D+01  0.466084D+00  0.180223D+00  0.439503D+01 -0.357822D+01
      2   0.466084D+00  0.124045D+00  0.311256D-01 -0.357822D+01  0.338912D+01
      3   0.180223D+00  0.311256D-01  0.189680D+00 -0.606747D+00  0.463661D+00
               156           157           158           159           160 
      1  -0.606747D+00 -0.348734D+01  0.423154D+01  0.894927D+00 -0.540289D+00
      2   0.463661D+00  0.423154D+01 -0.659281D+01 -0.116745D+01  0.690505D+00
      3   0.628831D+00  0.894927D+00 -0.116745D+01 -0.100998D+01  0.158809D+00
               161           162           163           164           165 
      1   0.690505D+00  0.158809D+00 -0.167243D+01 -0.177300D+01 -0.568048D+00
      2  -0.136197D+01 -0.301588D+00 -0.177300D+01 -0.209269D+01 -0.715537D+00
      3  -0.301588D+00 -0.231360D+00 -0.568048D+00 -0.715537D+00 -0.497904D+00
               166           167           168           169           170 
      1  -0.160296D+01 -0.209940D+01 -0.623059D+00 -0.754952D+00 -0.837164D+00
      2  -0.209940D+01 -0.750765D+01 -0.210623D+01 -0.837164D+00 -0.223595D+01
      3  -0.623059D+00 -0.210623D+01 -0.148017D+01 -0.185301D+00 -0.677568D+00
               171 
      1  -0.185301D+00
      2  -0.677568D+00
      3  -0.518319D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.301160D+00  0.660032D+00  0.853641D+00 -0.359341D-01 -0.362377D+01
      2   0.597511D+01 -0.769480D+00  0.176016D+01  0.117668D+00  0.324422D+01
      3   0.143471D+02 -0.424741D+01  0.149187D+01  0.234396D+01  0.106645D+02
                 6             7             8             9            10 
      1  -0.425223D+01 -0.233513D+01  0.372658D+01  0.584046D+00 -0.152299D+01
      2  -0.335063D+01 -0.284789D+01 -0.776312D+00  0.318349D+01  0.245563D+01
      3  -0.493375D+01  0.762734D+00 -0.189543D+01  0.321660D+01  0.168458D+01
                11            12            13            14            15 
      1  -0.491119D+00 -0.102583D+00  0.857548D+00  0.260501D+01  0.107412D+01
      2   0.163565D+01 -0.194130D+01  0.281538D+01 -0.552617D+01 -0.489267D+01
      3   0.810869D+00 -0.255081D+00  0.113784D+02 -0.314047D+01  0.757798D+01
                16            17            18            19            20 
      1   0.453925D+01  0.472489D+01 -0.170873D+01 -0.599678D+00  0.788830D+00
      2  -0.148058D+02 -0.838089D+01 -0.448805D+00 -0.620633D+01  0.287547D+00
      3  -0.108634D+01  0.676604D+01  0.524869D+01 -0.875660D+01 -0.381133D+01
                21            22            23            24            25 
      1   0.803005D+00  0.488651D+00 -0.178198D+00 -0.507815D+00  0.611003D+00
      2   0.457332D+01 -0.713496D-02 -0.891995D+00  0.100950D+00  0.132879D+01
      3   0.175678D+00 -0.119542D+01  0.273126D+00  0.389365D+00  0.234391D+00
                26            27            28            29            30 
      1   0.146951D+00 -0.370304D+00 -0.792672D+00  0.151019D+00 -0.957391D+00
      2  -0.366429D+00 -0.412133D-01  0.130060D+01  0.361592D+00  0.243617D+01
      3   0.461489D+00 -0.384524D+00 -0.243836D+01 -0.256865D+01 -0.150391D+00
                31            32            33            34            35 
      1  -0.188953D+00  0.128752D+01 -0.247814D+01 -0.116263D+01  0.121750D+01
      2  -0.599235D+00  0.408968D+01  0.519505D+01  0.276854D+00  0.390038D+01
      3   0.523599D+00 -0.714663D+01 -0.488048D+01  0.836951D+00 -0.500864D+01
                36            37            38            39            40 
      1  -0.238158D+01  0.357160D+01 -0.299541D+01 -0.153865D+01 -0.155622D+00
      2   0.700526D+01 -0.123126D+02 -0.446291D+01  0.813226D+01 -0.594373D+01
      3  -0.432304D+01 -0.305705D+01 -0.106638D+02  0.923242D+00 -0.468844D+01
                41            42            43            44            45 
      1   0.195696D+01 -0.980757D+01 -0.189910D+01 -0.478491D+01 -0.278392D+01
      2   0.992994D+01  0.596609D+01  0.558450D+01  0.701756D+01  0.364285D+01
      3   0.104521D+02 -0.103477D+02  0.135926D+01 -0.938801D+01 -0.537224D+01
                46            47            48            49            50 
      1  -0.230459D+00 -0.256510D+00 -0.130441D+00 -0.216399D+01 -0.350867D+01
      2  -0.269148D+01 -0.146582D+01 -0.151180D+01 -0.152014D+01  0.518505D+00
      3  -0.324111D+01  0.621455D+01  0.108314D+01  0.160845D+02  0.168301D+01
                51            52            53            54            55 
      1   0.729177D+00 -0.860749D-01  0.969155D+01  0.246734D+01 -0.156634D+01
      2   0.677412D+00 -0.127299D+02  0.306768D+00  0.661619D+00 -0.208684D+01
      3  -0.149562D+01  0.737189D+00  0.108313D+01 -0.743432D-01 -0.486800D+01
                56            57            58            59            60 
      1   0.189642D+01  0.115871D+01  0.125977D+01 -0.559246D+01 -0.996287D+00
      2   0.251870D+01 -0.191078D+01  0.307871D+01 -0.697556D+01  0.453490D+01
      3   0.486157D+01 -0.151785D+01  0.644820D+01 -0.155632D+02  0.598800D+01
                61            62            63            64            65 
      1   0.527617D+00  0.213449D+01  0.321318D+00 -0.660136D+00 -0.153859D+01
      2  -0.234474D+01  0.310430D+01 -0.374915D+01  0.941465D+01  0.813699D+00
      3  -0.688868D+00  0.433339D+01 -0.374707D+01  0.592841D+01 -0.554083D+01
                66            67            68            69            70 
      1  -0.156402D+01 -0.126946D+01 -0.575792D+00 -0.270895D+00 -0.108418D+01
      2   0.662144D+01  0.160359D+01 -0.238481D+00  0.345802D+00  0.155914D+01
      3   0.257778D+00 -0.138777D+01 -0.204784D+01  0.130524D+01 -0.283022D-01
                71            72            73            74            75 
      1   0.967315D+00 -0.113040D+00  0.131658D+01  0.139581D+01  0.552107D+00
      2  -0.345361D+00  0.105346D+01 -0.177021D+01 -0.827331D+00 -0.226231D+01
      3   0.500420D+00  0.142256D+01  0.179270D+01  0.980420D+00 -0.119861D+00
                76            77            78            79            80 
      1   0.435280D+00  0.521637D+01  0.358083D+01 -0.182907D+00  0.592318D+01
      2  -0.137552D+01 -0.540568D+01 -0.788727D+01 -0.274071D+01 -0.460439D+01
      3   0.153033D+01  0.530708D+01  0.534013D+01 -0.597184D+00  0.513098D+01
                81            82            83            84            85 
      1   0.619952D+01 -0.523921D+00  0.263285D+00  0.196560D+01 -0.880671D+00
      2  -0.119192D+02  0.215379D+01  0.230262D+00 -0.888124D+00  0.386604D+01
      3   0.497953D+01  0.295039D+01 -0.363139D+00  0.119371D+01  0.469331D+01
                86            87            88            89            90 
      1   0.260272D+00 -0.217556D+01  0.663657D+01  0.316114D+01  0.145644D+00
      2   0.112203D+01  0.919872D+00 -0.118474D+02 -0.898470D-01 -0.419237D+00
      3  -0.654691D+01  0.798903D+00 -0.627716D+00 -0.953794D+00 -0.557589D+01
                91            92            93            94            95 
      1   0.713192D+00  0.784987D+00 -0.104985D+01  0.150767D+01 -0.123675D+00
      2  -0.332901D+00  0.236379D+01  0.892400D+00  0.165334D+01 -0.311577D+01
      3  -0.638545D+00 -0.112833D+02 -0.252165D+01  0.388762D+01 -0.159649D+01
                96            97            98            99           100 
      1  -0.225670D+01 -0.512640D+01  0.108297D+01 -0.122471D+01  0.239509D+00
      2   0.327412D+01 -0.784673D+01  0.842667D+01  0.500978D+01  0.187596D+00
      3   0.184325D+01 -0.614930D+00  0.290408D+01 -0.426703D+01 -0.115181D+01
               101           102           103           104           105 
      1  -0.952323D+00 -0.757888D+00 -0.112271D+01 -0.313956D+01  0.987423D+00
      2  -0.119269D+00  0.596516D+01 -0.475544D+01 -0.706045D-01  0.173850D+00
      3  -0.671532D+01 -0.104220D+00  0.111029D+02  0.682209D+00  0.145674D+01
               106           107           108           109           110 
      1  -0.179212D+01  0.109348D+02  0.289919D+01 -0.642287D+00 -0.590285D+00
      2   0.714946D+01  0.181034D+01  0.158714D+01 -0.110479D+01  0.238360D+01
      3   0.443883D+01  0.118410D+01  0.933541D-01  0.165590D+01 -0.114369D+02
               111           112           113           114           115 
      1   0.179863D+01 -0.168329D+01 -0.119989D-02 -0.192736D+01  0.686835D+01
      2   0.268254D+01 -0.118092D+01  0.354369D+01 -0.377628D+01 -0.432430D+01
      3  -0.234662D+01  0.551674D+01  0.181244D+00 -0.219486D+01 -0.367633D+00
               116           117           118           119           120 
      1   0.308500D+01  0.160723D+01 -0.151084D+00  0.145788D+01 -0.132262D+01
      2  -0.995315D+01 -0.331587D+01  0.391513D+01  0.173967D+01 -0.303427D+00
      3  -0.429332D+01  0.371472D+01 -0.212952D+01 -0.247254D+01 -0.228077D+01
               121           122           123           124           125 
      1   0.148549D+01  0.540643D+00 -0.221291D+01 -0.514641D+01  0.152986D+01
      2   0.176907D+01 -0.109004D+01 -0.116954D+01 -0.132994D+02 -0.998266D+00
      3   0.221017D+01  0.727862D+01  0.241082D+00 -0.372678D+01 -0.903874D+00
               126           127           128           129           130 
      1  -0.656964D+00  0.450528D+00 -0.652473D+00  0.198565D+01  0.218754D+00
      2  -0.374262D+01  0.152516D+01 -0.711524D+00  0.360440D+00 -0.697368D+00
      3   0.509113D+01 -0.897435D+01  0.352980D+01  0.142247D+00  0.648524D+01
               131           132           133           134           135 
      1  -0.632178D-01 -0.320102D+01 -0.274721D+00  0.169466D+01  0.821974D-02
      2   0.118284D+01 -0.857219D+00 -0.136239D+01  0.563955D+00 -0.361925D+00
      3  -0.510937D+01 -0.119539D+01 -0.379506D+00 -0.658702D+00 -0.753220D-01
               136           137           138           139           140 
      1  -0.230424D+00  0.463037D-01 -0.179736D+01 -0.203199D+00  0.563753D+00
      2   0.414187D+00  0.736108D+00  0.185816D+01  0.594604D+00  0.310638D+01
      3  -0.753392D+00 -0.255827D+01 -0.483415D+00 -0.127596D+01 -0.125810D+02
               141           142           143           144           145 
      1  -0.420957D+01  0.583836D+00  0.189339D+01 -0.688590D+00 -0.119242D+00
      2   0.362546D+01 -0.403065D+00  0.180446D+00  0.962274D+00  0.159082D+01
      3  -0.274101D+01 -0.493073D+00 -0.340952D+01 -0.692086D+00 -0.191501D+00
               146           147           148           149           150 
      1   0.464696D+00 -0.462603D+00  0.126277D+00  0.221807D-01 -0.350169D+00
      2  -0.968876D-01  0.638089D+01  0.163946D+01  0.373147D+00  0.737511D+00
      3  -0.525499D+01  0.185104D+00 -0.366659D+01 -0.899897D+00 -0.405478D+00
               151           152           153           154           155 
      1   0.232597D+00  0.489752D+00 -0.338618D-01  0.243997D+00 -0.687524D+00
      2  -0.228386D+01 -0.375363D-01  0.586286D+00  0.128044D+00 -0.136284D+00
      3  -0.126134D+01 -0.755183D+00 -0.159623D+00  0.137243D+01 -0.453710D+01
               156           157           158           159           160 
      1   0.214553D+01  0.294187D+00  0.297368D+00 -0.336382D+01 -0.892676D+00
      2   0.265406D+01  0.768098D+00 -0.152004D+01 -0.349691D+01 -0.643919D+00
      3  -0.196740D+00 -0.304199D+01  0.109053D+02  0.145772D+01 -0.100271D+01
               161           162           163           164           165 
      1   0.147682D+01 -0.402256D+00  0.202673D+00  0.254979D+00 -0.157947D+01
      2   0.463233D+00 -0.439044D+00 -0.181130D+01 -0.126688D+01 -0.159826D-01
      3   0.248143D+01  0.444533D+00  0.598546D+01  0.359505D+01  0.130923D+01
               166           167           168           169           170 
      1   0.285904D+00  0.842250D+00 -0.384480D+01  0.466398D+00  0.236546D+01
      2  -0.182647D+01 -0.227609D+01 -0.120503D+00 -0.200508D+01 -0.701941D+00
      3   0.663775D+01  0.768513D+01  0.254161D+01  0.250503D+01  0.242142D+01
               171 
      1  -0.653950D+00
      2  -0.796684D-03
      3   0.460044D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.347719D+02  0.234821D+01  0.143513D+00 -0.753804D+01 -0.536782D+01
      2   0.191926D+02 -0.343445D+01 -0.132544D+01  0.165168D+01  0.128308D+02
      3   0.155792D+02  0.108624D+01  0.118193D+01  0.588636D+01 -0.746300D+01
      4   0.569050D+01  0.545742D+01 -0.179086D+01  0.184224D+02 -0.212015D+02
      5  -0.539806D+01 -0.184869D+01  0.619914D+01 -0.976021D+01  0.110018D+02
      6  -0.177611D+01  0.270058D+00 -0.224102D+01  0.420868D+01 -0.631682D+01
                 6             7             8             9            10 
      1   0.529859D+00  0.160682D+01  0.234717D+01 -0.347008D+01  0.888864D+01
      2   0.164569D+01 -0.123124D+01 -0.167419D+01 -0.479977D+01 -0.242715D+01
      3  -0.217555D+01 -0.375580D+00 -0.672980D+00  0.826985D+01 -0.646149D+01
      4   0.115524D+02 -0.654810D+01  0.489141D+01 -0.598772D+01 -0.333489D+01
      5  -0.760523D+01  0.117376D+02 -0.645090D+01  0.914435D+01  0.510588D+01
      6   0.116618D+02 -0.144273D+01  0.737667D+01 -0.595454D+01  0.218963D+01
                11            12            13            14            15 
      1   0.114092D+01 -0.112982D+01  0.459860D+01 -0.543000D+00  0.602569D+01
      2   0.144381D+01 -0.745945D+00  0.100756D+01 -0.349042D+00 -0.941202D+01
      3  -0.258472D+01  0.187577D+01 -0.560615D+01  0.892041D+00  0.338633D+01
      4  -0.112054D+02  0.398892D+01 -0.216260D+02 -0.242063D+01 -0.161088D+02
      5   0.450247D+01 -0.136066D+02  0.117575D+02 -0.153809D+02 -0.116365D+02
      6   0.232536D+00 -0.128126D+01 -0.447652D+01 -0.495955D+01 -0.137705D+02
                16            17            18            19            20 
      1   0.981768D+01  0.687317D+01 -0.173878D+01  0.620416D+02 -0.890354D+01
      2  -0.849981D+01 -0.312489D+01  0.443750D+01 -0.323947D+02  0.356537D+01
      3  -0.131787D+01 -0.374828D+01 -0.269872D+01 -0.296469D+02  0.533817D+01
      4   0.116396D+02 -0.961289D+01 -0.181067D+02 -0.221130D+02  0.108054D+02
      5  -0.246435D+02 -0.167227D+02 -0.913367D+00  0.139262D+02 -0.309018D+01
      6  -0.105238D+02 -0.104954D+02 -0.917014D+00 -0.203551D+01  0.144118D+01
                21            22            23            24            25 
      1   0.387116D+01  0.408125D+00  0.342517D+01  0.335772D+00 -0.123909D+01
      2  -0.312779D+01 -0.164350D+01 -0.562194D+00 -0.183902D+00 -0.519191D-01
      3  -0.743377D+00  0.123537D+01 -0.286298D+01 -0.151869D+00  0.129101D+01
      4  -0.265855D+01  0.729360D+01 -0.353508D+01  0.178617D+00  0.111761D+01
      5   0.822700D+01  0.315214D+00  0.700880D+00 -0.547242D+00  0.633205D+01
      6  -0.178960D+01  0.130272D+01 -0.292296D+00  0.151783D+01 -0.137214D+01
                26            27            28            29            30 
      1   0.823270D+00  0.318705D+01  0.283836D+01  0.213395D+01  0.289818D+01
      2   0.155555D+00 -0.250408D+01 -0.177773D+01 -0.100800D+01 -0.164785D+01
      3  -0.978824D+00 -0.682967D+00 -0.106064D+01 -0.112595D+01 -0.125033D+01
      4  -0.426852D+00 -0.172399D+01  0.719024D+01  0.820981D+01  0.343619D+01
      5  -0.143544D+01  0.223853D+01  0.614206D+01  0.339359D+01  0.912952D+01
      6   0.988216D+00 -0.311488D+00  0.436311D+01  0.166487D+01  0.239248D+01
                31            32            33            34            35 
      1   0.223707D+01 -0.688585D+01 -0.552070D+01  0.185840D+01 -0.583628D+01
      2  -0.856740D+00  0.727317D+01  0.344688D+01 -0.214680D+01  0.161113D+01
      3  -0.138033D+01 -0.387320D+00  0.207382D+01  0.288401D+00  0.422514D+01
      4   0.108458D+02  0.176482D+02  0.108452D+02  0.508051D+01  0.111557D+02
      5   0.495411D+01  0.103019D+02  0.120624D+02  0.123534D+02  0.108929D+02
      6   0.394443D+01  0.123042D+02  0.117908D+02  0.516587D+01  0.115341D+02
                36            37            38            39            40 
      1  -0.787968D+01 -0.567746D+02 -0.156734D+02  0.505495D+01 -0.142166D+02
      2  -0.329693D+01  0.229563D+02  0.117006D+02  0.875102D+00  0.797557D+01
      3   0.111766D+02  0.338183D+02  0.397279D+01 -0.593005D+01  0.624105D+01
      4   0.116579D+02 -0.193770D+02  0.827271D+01 -0.297047D+01  0.105343D+02
      5   0.178596D+02  0.696654D+01 -0.556472D+00  0.110638D+02 -0.556980D+01
      6   0.129920D+02  0.114768D+01 -0.706299D+01  0.417241D+01 -0.514649D+01
                41            42            43            44            45 
      1   0.209061D+02 -0.201982D+01 -0.528010D+01 -0.304148D+01  0.106192D+02
      2  -0.131321D+02  0.146805D+02  0.817966D+01  0.121862D+02 -0.398056D+01
      3  -0.777407D+01 -0.126607D+02 -0.289955D+01 -0.914474D+01 -0.663865D+01
      4  -0.599282D+01  0.117624D+02 -0.116933D+02  0.807280D+01  0.181529D+02
      5   0.755119D+01  0.141496D+02  0.218487D+02  0.161773D+02 -0.403545D+01
      6   0.698713D+01 -0.439468D+01  0.912224D+01 -0.730949D+00 -0.950941D+01
                46            47            48            49            50 
      1  -0.172741D+02 -0.943050D+00 -0.138385D+01  0.332846D+01 -0.806099D+01
      2   0.495918D+01  0.786343D-01 -0.103001D+00 -0.439781D+01  0.117804D+02
      3   0.123149D+02  0.864415D+00  0.148686D+01  0.106934D+01 -0.371937D+01
      4   0.986155D+01  0.410062D+01 -0.311794D-03 -0.947626D+01 -0.339550D+01
      5  -0.686653D+01 -0.751423D+00  0.551818D-01 -0.471567D+01  0.719802D+00
      6  -0.336493D+01  0.608880D+00  0.696028D+00 -0.318986D+01  0.485322D+01
                51            52            53            54            55 
      1  -0.567999D+00 -0.784774D+01 -0.217950D+01 -0.930998D+01 -0.110878D+01
      2   0.597561D+01  0.673974D+00  0.362365D+01 -0.291269D+01  0.294466D+01
      3  -0.540761D+01  0.717376D+01 -0.144415D+01  0.122227D+02 -0.183588D+01
      4   0.339681D+00 -0.600120D+01  0.106388D+00  0.256749D+01  0.152133D+01
      5   0.112441D+01  0.400266D+01  0.201976D+01 -0.642085D+00  0.928031D+00
      6  -0.225812D+00 -0.277487D+00  0.609369D+01 -0.346279D+01 -0.270113D+01
                56            57            58            59            60 
      1   0.990369D+01 -0.505307D+01  0.101623D+02 -0.229254D+02  0.953217D+01
      2  -0.858548D+01  0.165090D+01 -0.660323D+01  0.260447D+02 -0.629777D+01
      3  -0.131821D+01  0.340218D+01 -0.355909D+01 -0.311937D+01 -0.323440D+01
      4  -0.234887D+01  0.111032D+01  0.330129D+01  0.219561D+02 -0.882746D+01
      5  -0.488754D+00 -0.195983D+01 -0.387927D+01 -0.627489D+01  0.634357D+01
      6   0.553840D+01 -0.427185D+01  0.161225D+01 -0.183640D+02  0.117782D+02
                61            62            63            64            65 
      1  -0.198732D+01  0.718082D+01 -0.908846D+01  0.828686D+02  0.989754D+01
      2   0.349746D+00 -0.415222D+01  0.318620D+01 -0.405285D+02 -0.271111D+01
      3   0.163758D+01 -0.302860D+01  0.590226D+01 -0.423401D+02 -0.718643D+01
      4   0.640156D+00 -0.585052D+01  0.337062D+01  0.273984D+02  0.150528D+02
      5   0.687179D+00  0.329160D+01 -0.438850D+01 -0.219577D+02 -0.411813D+01
      6  -0.195640D+01  0.100548D+02 -0.653542D+01 -0.373015D+01 -0.294155D+01
                66            67            68            69            70 
      1  -0.242092D+01  0.702374D+01  0.551557D+01  0.317493D+00  0.696813D+01
      2   0.416349D+01 -0.124674D+01 -0.897889D+00 -0.103620D+01 -0.135919D+01
      3  -0.174258D+01 -0.577701D+01 -0.461768D+01  0.718710D+00 -0.560893D+01
      4  -0.266234D+01  0.144039D+02  0.752300D+01 -0.217427D+01  0.234226D+01
      5   0.134241D+02 -0.198270D+01 -0.311997D+01  0.811876D+00  0.868357D+01
      6   0.325894D+01 -0.214671D+01 -0.210086D+01  0.236138D+01  0.224476D+01
                71            72            73            74            75 
      1   0.652045D+00  0.557668D+01  0.327269D+01 -0.976478D+00 -0.553332D+01
      2  -0.589782D+00 -0.407329D+01 -0.306410D+01 -0.860070D-01  0.200618D+00
      3  -0.622626D-01 -0.150339D+01 -0.208594D+00  0.106249D+01  0.533271D+01
      4   0.881010D+00  0.833221D+00 -0.460556D+00 -0.126872D+01  0.108498D+00
      5   0.233305D-01 -0.206090D+00 -0.197768D+01  0.148975D+01 -0.292634D+00
      6   0.147424D+01  0.579285D+00  0.150718D+01  0.183829D+01 -0.280733D+00
                76            77            78            79            80 
      1  -0.468682D+01 -0.651408D+01 -0.547542D+01 -0.494098D+01 -0.359421D+01
      2   0.338624D+01 -0.384143D+00 -0.741463D+01  0.342929D+01 -0.597972D+01
      3   0.130057D+01  0.689822D+01  0.128900D+02  0.151169D+01  0.957393D+01
      4   0.391911D+00 -0.100327D+02 -0.911489D+01  0.316216D+00 -0.902214D+01
      5   0.644268D+01 -0.734291D+01 -0.143360D+02  0.594456D+01 -0.708979D+01
      6   0.251603D+00  0.687576D+01  0.669129D+01 -0.322033D+00  0.662045D+01
                81            82            83            84            85 
      1  -0.134048D+02  0.124416D+01  0.165094D+02  0.493114D+01 -0.492883D+01
      2  -0.120525D+02 -0.290161D+01 -0.122413D+02 -0.126850D+01  0.121650D+02
      3   0.254573D+02  0.165745D+01 -0.426809D+01 -0.366263D+01 -0.723615D+01
      4  -0.897418D+01  0.933272D+01 -0.113041D+02 -0.674120D+00  0.280491D+01
      5  -0.200332D+02  0.388777D+01 -0.134436D+01 -0.110953D+01  0.311990D+01
      6   0.460319D+01  0.264328D+01 -0.287575D+01 -0.410213D+01  0.806413D+01
                86            87            88            89            90 
      1   0.203964D+01  0.401342D+01 -0.313358D+00  0.646867D+01 -0.137971D+02
      2  -0.480062D+01 -0.345199D+01  0.531598D+01 -0.879852D+01  0.214567D+01
      3   0.276099D+01 -0.561427D+00 -0.500262D+01  0.232985D+01  0.116514D+02
      4   0.139446D+02  0.272445D+01  0.297586D+01  0.359620D+00  0.299754D+01
      5   0.270731D+01  0.753458D+00  0.447327D+01  0.240742D+01 -0.140037D+01
      6  -0.553220D+01  0.450730D+01 -0.270198D+01  0.122490D+02  0.223258D+00
                91            92            93            94            95 
      1   0.659528D+01 -0.216967D+02 -0.303011D+01  0.217623D+02  0.116022D+02
      2  -0.586494D+01  0.149250D+02  0.134674D+01 -0.183835D+02 -0.129947D+02
      3  -0.730346D+00  0.677170D+01  0.168338D+01 -0.337878D+01  0.139245D+01
      4  -0.131078D+02 -0.552699D+01 -0.482293D+01  0.957650D+01 -0.220083D+01
      5  -0.635494D+01 -0.325728D+01 -0.113419D+01  0.633646D+00 -0.674726D+01
      6  -0.556443D+01 -0.124522D+01  0.273278D+01 -0.515341D+01 -0.108732D+02
                96            97            98            99           100 
      1   0.406338D+01  0.443792D+01 -0.432508D+00 -0.531320D+01 -0.927026D+01
      2  -0.630416D+01 -0.775122D+01 -0.828565D+01 -0.513656D+01  0.674674D+01
      3   0.224078D+01  0.331330D+01  0.871816D+01  0.104498D+02  0.252352D+01
      4  -0.601419D+01 -0.423447D+01 -0.105408D+02  0.131238D+02 -0.177113D+01
      5   0.699627D+01  0.116626D+02  0.135103D+02  0.994435D+01 -0.552489D+01
      6   0.274110D+01  0.574329D+01  0.127258D+02  0.347589D+01  0.123278D+01
               101           102           103           104           105 
      1  -0.167684D+01 -0.605728D+01  0.799259D+01 -0.212918D+02 -0.873880D+01
      2   0.146849D+01  0.325536D+01 -0.544802D+01  0.172313D+02  0.994987D+01
      3   0.208354D+00  0.280192D+01 -0.254457D+01  0.406055D+01 -0.121107D+01
      4   0.217835D+02  0.143570D+01 -0.185597D+02 -0.495919D+01 -0.448599D+01
      5   0.119673D+01  0.135726D+02 -0.134115D+02 -0.173632D+01 -0.256004D+00
      6   0.770917D+00  0.167281D+01 -0.346707D+01  0.385954D+01 -0.150430D+01
               106           107           108           109           110 
      1  -0.677467D+01 -0.985934D+01  0.135267D+02  0.503866D+00  0.222574D+02
      2   0.121337D+01  0.744708D+01 -0.161894D+02 -0.359534D+01 -0.142962D+02
      3   0.556131D+01  0.241225D+01  0.266269D+01  0.309148D+01 -0.796119D+01
      4  -0.143508D+02 -0.102116D+01  0.834367D+00  0.173500D+02  0.347585D+01
      5   0.331736D+02  0.233244D+01  0.478969D+01  0.112255D+00  0.177915D+01
      6   0.745255D+00  0.500889D+01 -0.422401D+01  0.119671D+01 -0.278059D+01
               111           112           113           114           115 
      1   0.606978D+01 -0.251702D+02  0.564661D+01  0.819735D+00 -0.923858D+01
      2  -0.905872D+00  0.222909D+02 -0.826039D+01 -0.113761D+01  0.111246D+02
      3  -0.516391D+01  0.287924D+01  0.261379D+01  0.317878D+00 -0.188607D+01
      4   0.362953D+01  0.443678D+01  0.943780D+01  0.989637D+01  0.685931D-01
      5   0.531161D+01 -0.560274D+01  0.820430D+01 -0.727895D+01  0.178914D+02
      6  -0.483254D+01  0.765155D+01 -0.658154D+01  0.392973D+01 -0.653292D+01
               116           117           118           119           120 
      1   0.595044D+01  0.221926D+01  0.885399D+01 -0.118286D+02 -0.623790D+00
      2  -0.931995D+01 -0.756938D+01 -0.660687D+01  0.102124D+02 -0.262762D+00
      3   0.336951D+01  0.535012D+01 -0.224712D+01  0.161615D+01  0.886552D+00
      4   0.100671D+02 -0.139585D+02 -0.107327D+02 -0.180326D+02 -0.454964D+01
      5  -0.143942D+02 -0.820383D+01  0.884253D+00 -0.336876D+01 -0.344093D+01
      6   0.115433D+02 -0.131619D+01 -0.252217D+01 -0.140005D+01  0.284145D+01
               121           122           123           124           125 
      1   0.107882D+01  0.795391D+01  0.604640D+01  0.285746D+01  0.359896D+01
      2  -0.819023D+01 -0.987571D+01 -0.732125D+01 -0.550776D+01 -0.104218D+02
      3   0.711141D+01  0.192179D+01  0.127485D+01  0.265030D+01  0.682285D+01
      4   0.117686D+02 -0.122477D+02 -0.191246D+01 -0.307385D+00 -0.416866D+01
      5  -0.647773D+00 -0.250802D+01 -0.957989D+00  0.134187D+01 -0.512035D+01
      6  -0.599317D+01 -0.109955D+02  0.165107D+01  0.183787D+01  0.115726D+02
               126           127           128           129           130 
      1  -0.150623D+02 -0.435723D+01  0.773119D+01  0.108433D+01  0.835110D+01
      2  -0.394370D+00  0.627912D+01 -0.106876D+02 -0.972339D+00 -0.110674D+02
      3   0.154567D+02 -0.192189D+01  0.295636D+01 -0.111989D+00  0.271627D+01
      4  -0.654512D+01 -0.823863D+01  0.770675D+01  0.111190D+01  0.759559D+01
      5  -0.612314D+01 -0.672815D+00  0.127647D+01  0.118494D+01  0.124486D+01
      6   0.500956D+01  0.865016D+00 -0.133783D+01 -0.243891D+01 -0.227016D+01
               131           132           133           134           135 
      1  -0.216272D+02 -0.349815D+01  0.144094D+01 -0.373142D+01 -0.759915D+00
      2   0.290244D+02  0.291901D+01 -0.205014D+01  0.464602D+01  0.133582D+01
      3  -0.739729D+01  0.579141D+00  0.609205D+00 -0.914607D+00 -0.575900D+00
      4  -0.823271D+01 -0.963533D+00  0.105493D+01 -0.122918D+01 -0.169128D+01
      5  -0.133647D+01 -0.127621D+01  0.124324D+01 -0.797054D+00 -0.790312D+00
      6   0.470017D+01  0.551355D+01 -0.102958D+01  0.212889D+01  0.128933D+01
               136           137           138           139           140 
      1   0.610689D+01  0.490003D+01  0.115561D+01 -0.123597D+00 -0.135025D+02
      2   0.243334D+01  0.459298D+01  0.141717D+00  0.100128D+02  0.330629D+02
      3  -0.854023D+01 -0.949301D+01 -0.129733D+01 -0.988919D+01 -0.195603D+02
      4   0.190128D+02  0.227977D+02  0.571672D+01  0.238327D+02  0.443724D+02
      5   0.518269D+01  0.569714D+01  0.533498D+01  0.589580D+01  0.100701D+02
      6   0.374539D+01  0.437791D+01  0.340135D+01  0.573083D+01  0.132576D+02
               141           142           143           144           145 
      1  -0.347137D+01  0.526717D+00 -0.271844D+01 -0.213869D+01  0.963448D+02
      2   0.510339D+01  0.186958D+01  0.685738D+01  0.265893D+01 -0.546655D+02
      3  -0.163202D+01 -0.239630D+01 -0.413894D+01 -0.520239D+00 -0.416792D+02
      4   0.102790D+02  0.674578D+01  0.119131D+02  0.420173D+01  0.905901D+01
      5   0.703572D+01  0.257609D+01  0.363195D+01  0.289404D+01  0.117865D+02
      6   0.949559D+01  0.240456D+01  0.566665D+01  0.386102D+01 -0.230457D+01
               146           147           148           149           150 
      1   0.630371D+01  0.756973D+01  0.462405D+01  0.902616D+01  0.184841D+01
      2  -0.309416D+01 -0.524466D+01 -0.206340D+01 -0.425705D+01 -0.153624D+01
      3  -0.320955D+01 -0.232507D+01 -0.256065D+01 -0.476910D+01 -0.312169D+00
      4   0.910583D+01  0.337504D+00  0.144097D+02  0.294734D+01  0.143076D+01
      5   0.392710D+00  0.113458D+02  0.351872D+01  0.162917D+01  0.127908D+01
      6   0.414181D+00  0.312245D+00  0.978534D+00 -0.173398D+00  0.148148D+01
               151           152           153           154           155 
      1   0.101544D+02  0.218342D+01  0.375482D+01  0.188905D+02 -0.119515D+02
      2  -0.593616D+01 -0.126138D+01 -0.261756D+01 -0.272920D+01 -0.193723D+01
      3  -0.421824D+01 -0.922037D+00 -0.113725D+01 -0.161613D+02  0.138887D+02
      4   0.397164D+01  0.150106D+01  0.846664D+00 -0.304261D+02  0.288797D+02
      5   0.423173D+01  0.560314D+00  0.211784D+01 -0.580794D+01  0.413984D+01
      6   0.130285D+00  0.742339D+00  0.419916D+00  0.208402D+01 -0.188665D+01
               156           157           158           159           160 
      1  -0.236965D+01 -0.776710D+01  0.156013D+01  0.621948D+00 -0.499852D+00
      2   0.810339D+00 -0.659852D+01  0.180920D+02  0.102774D+01 -0.140711D+01
      3   0.155931D+01  0.143656D+02 -0.196522D+02 -0.164968D+01  0.190696D+01
      4   0.409093D+01  0.317560D+02 -0.432221D+02 -0.745271D+01  0.544140D+01
      5   0.599799D+01  0.653745D+01 -0.785042D+01 -0.653087D+01  0.237425D+01
      6  -0.322552D+01 -0.408754D+01  0.586215D+01  0.626146D+01 -0.179685D+01
               161           162           163           164           165 
      1  -0.373441D+00 -0.542557D+00 -0.533276D+01 -0.820002D+01 -0.319358D+01
      2   0.308245D+01  0.112636D+01  0.626384D+01  0.945620D+01  0.216840D+01
      3  -0.270901D+01 -0.583800D+00 -0.931087D+00 -0.125617D+01  0.102518D+01
      4  -0.748662D+01 -0.319964D+01  0.410200D+01  0.695973D+01  0.159149D+01
      5  -0.248074D+01 -0.161718D+01  0.112563D+01  0.138467D+01  0.166081D+01
      6   0.298266D+01  0.202811D+01  0.302419D+01  0.437340D+01  0.298306D+01
               166           167           168           169           170 
      1  -0.777400D+01 -0.295711D+02 -0.914767D+01 -0.253827D+01 -0.859700D+01
      2   0.928528D+01  0.374023D+02  0.791841D+01  0.279363D+01  0.971299D+01
      3  -0.151128D+01 -0.783126D+01  0.122926D+01 -0.255360D+00 -0.111600D+01
      4   0.545778D+01  0.568355D+00 -0.467386D+00  0.174065D+01  0.410622D+00
      5   0.114976D+01 -0.589254D+00 -0.131354D+00  0.125567D+01  0.600730D+00
      6   0.367345D+01  0.139180D+02  0.947644D+01  0.151871D+01  0.538514D+01
               171 
      1  -0.368743D+01
      2   0.332738D+01
      3   0.360053D+00
      4   0.160093D+01
      5   0.852371D+00
      6   0.417778D+01
 Leave Link  716 at Fri Aug 13 11:33:09 2021, MaxMem=  6442450944 cpu:               0.6 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.127170D+03  0.956930D+00  0.148724D+01
      2   0.956930D+00  0.102921D+03  0.642847D+01
      3   0.148724D+01  0.642847D+01  0.709639D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1  -0.109161D+01  0.332678D+01  0.689439D+01
      2   0.649303D+01  0.134674D+02 -0.104840D+01
      3  -0.630227D+01 -0.405692D+02 -0.127600D+02
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1   0.839814D+02  0.946806D+01  0.294059D+01
      2  -0.319408D+02 -0.138223D+02 -0.152183D+02
      3  -0.520405D+02  0.435420D+01  0.122777D+02
      4  -0.180604D+02  0.745443D+02  0.327732D+02
      5   0.291158D+02  0.340765D+02 -0.895365D+01
      6   0.128330D+02  0.954137D+01 -0.156850D+02
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    57 ND12= 1 LenFil=    2055:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.702626D+01  0.514889D+00 -0.147766D+00  0.201842D+01 -0.209754D+01
      2   0.514889D+00  0.411386D+00  0.417633D+00 -0.209754D+01  0.340821D+01
      3  -0.147766D+00  0.417633D+00  0.161584D+00  0.128412D+01 -0.239547D+01
                 6             7             8             9            10 
      1   0.128412D+01 -0.155261D+00  0.906989D+00 -0.123071D+01  0.478260D+01
      2  -0.239547D+01  0.906989D+00 -0.708608D+00  0.125865D+01  0.131175D+01
      3   0.995086D+00 -0.123071D+01  0.125865D+01 -0.162197D+01 -0.916567D+00
                11            12            13            14            15 
      1   0.131175D+01 -0.916567D+00  0.381970D+01  0.359069D+01 -0.173548D+01
      2   0.132188D+01 -0.112978D+01  0.359069D+01  0.110583D+01  0.345851D+01
      3  -0.112978D+01  0.191272D+01 -0.173548D+01  0.345851D+01  0.321217D+01
                16            17            18            19            20 
      1  -0.428895D+01 -0.163540D+01  0.431189D+01 -0.113088D+02  0.191082D+01
      2  -0.163540D+01  0.191597D+01  0.353789D+01  0.191082D+01 -0.152682D+01
      3   0.431189D+01  0.353789D+01  0.456676D+00 -0.943591D+00  0.405665D+00
                21            22            23            24            25 
      1  -0.943591D+00  0.508175D+00 -0.847412D+00 -0.565690D-01  0.407442D+00
      2   0.405665D+00 -0.847412D+00  0.605795D+00  0.254667D-02 -0.116919D+00
      3  -0.123618D+01 -0.565690D-01  0.254667D-02  0.162736D+00 -0.778097D+00
                26            27            28            29            30 
      1  -0.116919D+00 -0.778097D+00 -0.889528D+00 -0.117331D+01 -0.104733D+01
      2   0.108988D+00  0.268680D+00 -0.117331D+01 -0.847842D+00 -0.339370D+00
      3   0.268680D+00 -0.379815D+00 -0.104733D+01 -0.339370D+00 -0.116600D+01
                31            32            33            34            35 
      1  -0.320730D+01 -0.168210D+01 -0.703256D+00 -0.192412D+01 -0.700595D+00
      2  -0.168210D+01 -0.383888D+01 -0.241623D+01 -0.700595D+00 -0.244591D+01
      3  -0.703256D+00 -0.241623D+01 -0.279652D+01 -0.184420D+01 -0.254122D+01
                36            37            38            39            40 
      1  -0.184420D+01  0.902027D+01  0.153322D+01  0.661686D+00  0.906238D-01
      2  -0.254122D+01  0.153322D+01 -0.220843D+01  0.874178D+00 -0.248168D+01
      3  -0.428353D+01  0.661686D+00  0.874178D+00 -0.217821D+01  0.163169D+01
                41            42            43            44            45 
      1  -0.248168D+01  0.163169D+01  0.554379D+01  0.205873D+01 -0.351525D+01
      2   0.234936D+01 -0.284089D+01  0.205873D+01 -0.183008D+01 -0.308538D+01
      3  -0.284089D+01 -0.294238D+01 -0.351525D+01 -0.308538D+01 -0.190321D+00
                46            47            48            49            50 
      1  -0.175026D+02 -0.274056D+01  0.203286D+00 -0.339928D+01  0.113252D+01
      2  -0.274056D+01 -0.290287D+01 -0.617196D-01  0.113252D+01  0.872443D-02
      3   0.203286D+00 -0.617196D-01 -0.163351D+01  0.145413D+01 -0.294349D+00
                51            52            53            54            55 
      1   0.145413D+01 -0.854636D+00  0.138042D+01 -0.384181D+01  0.275979D+00
      2  -0.294349D+00  0.138042D+01 -0.429490D+00 -0.684009D+00 -0.985929D+00
      3  -0.184606D+00 -0.384181D+01 -0.684009D+00 -0.997013D+00  0.196236D+00
                56            57            58            59            60 
      1  -0.985929D+00  0.196236D+00 -0.178756D+01  0.562317D+00 -0.109544D+00
      2   0.160345D+01 -0.733417D+00  0.562317D+00 -0.596018D+01  0.231720D+01
      3  -0.733417D+00  0.109226D+01 -0.109544D+00  0.231720D+01 -0.192449D+01
                61            62            63            64            65 
      1   0.223512D-01 -0.336114D+00  0.399567D+00 -0.136451D+02 -0.214375D+01
      2  -0.336114D+00  0.160235D+01 -0.122397D+01 -0.214375D+01 -0.137636D+01
      3   0.399567D+00 -0.122397D+01  0.156362D+01  0.114670D+01  0.350804D+00
                66            67            68            69            70 
      1   0.114670D+01 -0.162309D+01 -0.144221D+01  0.235724D-01 -0.143513D+01
      2   0.350804D+00 -0.144221D+01 -0.985203D+00  0.431156D+00 -0.299595D+00
      3  -0.150741D+01  0.235724D-01  0.431156D+00 -0.263270D-01 -0.845209D+00
                71            72            73            74            75 
      1  -0.299595D+00 -0.845209D+00 -0.297845D+00  0.417620D+00  0.443043D+00
      2  -0.130880D+00  0.103466D+00  0.417620D+00  0.485060D+00 -0.773513D-02
      3   0.103466D+00 -0.138459D+00  0.443043D+00 -0.773513D-02  0.103100D+01
                76            77            78            79            80 
      1   0.151693D+01  0.131348D+00 -0.676966D+00  0.960589D+00 -0.180647D+00
      2   0.131348D+00  0.194825D+01  0.186678D+01 -0.180647D+00  0.180881D+01
      3  -0.676966D+00  0.186678D+01  0.329533D+01 -0.277779D+00  0.166730D+01
                81            82            83            84            85 
      1  -0.277779D+00  0.356967D+01 -0.682056D+00  0.472016D-01  0.804128D+01
      2   0.166730D+01 -0.682056D+00 -0.321695D+01 -0.834518D+00  0.198993D+00
      3   0.494673D+01  0.472016D-01 -0.834518D+00 -0.165281D+01  0.153185D+00
                86            87            88            89            90 
      1   0.198993D+00  0.153185D+00  0.302326D+01 -0.338359D+00 -0.191872D+01
      2   0.172674D+01 -0.791681D+00 -0.338359D+00 -0.168716D+01  0.320124D+01
      3  -0.791681D+00  0.139360D+01 -0.191872D+01  0.320124D+01  0.126556D+01
                91            92            93            94            95 
      1  -0.346474D+01 -0.326342D+00 -0.220898D+00  0.479706D+01  0.229573D+00
      2  -0.326342D+00  0.270461D+01 -0.295609D+00  0.229573D+00  0.142470D+01
      3  -0.220898D+00 -0.295609D+00  0.718003D+00 -0.350972D+00 -0.940389D+00
                96            97            98            99           100 
      1  -0.350972D+00  0.501133D+00 -0.839506D+00  0.193340D+01  0.571866D+01
      2  -0.940389D+00 -0.839506D+00 -0.121624D+01  0.348833D+01  0.453250D+00
      3   0.131143D+01  0.193340D+01  0.348833D+01  0.278125D+01 -0.560663D+00
               101           102           103           104           105 
      1   0.453250D+00 -0.560663D+00  0.120546D+01 -0.262006D+00 -0.134061D+01
      2   0.320148D+01  0.220818D+00 -0.262006D+00  0.347378D+00 -0.566640D+00
      3   0.220818D+00  0.221416D+01 -0.134061D+01 -0.566640D+00 -0.142224D+00
               106           107           108           109           110 
      1  -0.110676D+00 -0.140234D+01  0.512659D+01 -0.255692D+01 -0.752607D+00
      2  -0.140234D+01  0.164792D+00  0.324779D+00 -0.752607D+00  0.243864D+01
      3   0.512659D+01  0.324779D+00  0.929144D+00 -0.429251D+00  0.936812D+00
               111           112           113           114           115 
      1  -0.429251D+00 -0.551289D+01 -0.644094D+00 -0.105777D+01 -0.203332D+01
      2   0.936812D+00 -0.644094D+00 -0.131793D+01  0.120072D+01 -0.581550D+00
      3   0.168393D+01 -0.105777D+01  0.120072D+01 -0.132505D+01  0.278960D+01
               116           117           118           119           120 
      1  -0.581550D+00  0.278960D+01  0.465142D+01  0.239169D+01  0.577968D+00
      2   0.188507D+01 -0.300721D+01  0.239169D+01 -0.241634D+01 -0.811341D-01
      3  -0.300721D+01 -0.129926D+01  0.577968D+00 -0.811341D-01 -0.870728D+00
               121           122           123           124           125 
      1  -0.675705D+01 -0.949187D+00  0.311717D+00 -0.518666D+00  0.105510D+01
      2  -0.949187D+00 -0.189540D+01  0.112753D+01  0.105510D+01  0.106528D+01
      3   0.311717D+00  0.112753D+01 -0.107408D+01 -0.734206D+00 -0.316420D+01
               126           127           128           129           130 
      1  -0.734206D+00 -0.321340D+01  0.212857D+01  0.186339D+00  0.226329D+01
      2  -0.316420D+01  0.212857D+01 -0.266048D+01 -0.297306D+00 -0.275020D+01
      3  -0.304775D+01  0.186339D+00 -0.297306D+00 -0.397879D+00 -0.497604D+00
               131           132           133           134           135 
      1  -0.275020D+01 -0.497604D+00  0.152335D-01 -0.382385D+00 -0.459799D-01
      2   0.614062D+01  0.858488D+00 -0.382385D+00  0.111126D+01  0.199455D+00
      3   0.858488D+00  0.942646D+00 -0.459799D-01  0.199455D+00  0.151864D+00
               136           137           138           139           140 
      1   0.237579D+01  0.260999D+01  0.782642D+00  0.234921D+01  0.363504D+01
      2   0.260999D+01  0.284657D+01  0.781613D+00  0.363504D+01  0.868035D+01
      3   0.782642D+00  0.781613D+00  0.618117D+00  0.954832D+00  0.208360D+01
               141           142           143           144           145 
      1   0.954832D+00  0.718373D+00  0.109274D+01  0.317180D+00  0.127358D+02
      2   0.208360D+01  0.109274D+01  0.225972D+01  0.604225D+00  0.883982D+00
      3   0.143970D+01  0.317180D+00  0.604225D+00  0.423286D+00  0.119576D+01
               146           147           148           149           150 
      1   0.883982D+00  0.119576D+01  0.767337D+00  0.154380D+01  0.443651D+00
      2   0.846587D+00  0.449429D-01  0.154380D+01  0.352103D+00  0.172790D+00
      3   0.449429D-01  0.108003D+01  0.443651D+00  0.172790D+00  0.153130D+00
               151           152           153           154           155 
      1   0.142384D+01  0.466084D+00  0.180223D+00  0.439503D+01 -0.357822D+01
      2   0.466084D+00  0.124045D+00  0.311256D-01 -0.357822D+01  0.338912D+01
      3   0.180223D+00  0.311256D-01  0.189680D+00 -0.606747D+00  0.463661D+00
               156           157           158           159           160 
      1  -0.606747D+00 -0.348734D+01  0.423154D+01  0.894927D+00 -0.540289D+00
      2   0.463661D+00  0.423154D+01 -0.659281D+01 -0.116745D+01  0.690505D+00
      3   0.628831D+00  0.894927D+00 -0.116745D+01 -0.100998D+01  0.158809D+00
               161           162           163           164           165 
      1   0.690505D+00  0.158809D+00 -0.167243D+01 -0.177300D+01 -0.568048D+00
      2  -0.136197D+01 -0.301588D+00 -0.177300D+01 -0.209269D+01 -0.715537D+00
      3  -0.301588D+00 -0.231360D+00 -0.568048D+00 -0.715537D+00 -0.497904D+00
               166           167           168           169           170 
      1  -0.160296D+01 -0.209940D+01 -0.623059D+00 -0.754952D+00 -0.837164D+00
      2  -0.209940D+01 -0.750765D+01 -0.210623D+01 -0.837164D+00 -0.223595D+01
      3  -0.623059D+00 -0.210623D+01 -0.148017D+01 -0.185301D+00 -0.677568D+00
               171 
      1  -0.185301D+00
      2  -0.677568D+00
      3  -0.518319D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.301160D+00  0.660032D+00  0.853641D+00 -0.359341D-01 -0.362377D+01
      2   0.597511D+01 -0.769480D+00  0.176016D+01  0.117668D+00  0.324422D+01
      3   0.143471D+02 -0.424741D+01  0.149187D+01  0.234396D+01  0.106645D+02
                 6             7             8             9            10 
      1  -0.425223D+01 -0.233513D+01  0.372658D+01  0.584046D+00 -0.152299D+01
      2  -0.335063D+01 -0.284789D+01 -0.776312D+00  0.318349D+01  0.245563D+01
      3  -0.493375D+01  0.762734D+00 -0.189543D+01  0.321660D+01  0.168458D+01
                11            12            13            14            15 
      1  -0.491119D+00 -0.102583D+00  0.857548D+00  0.260501D+01  0.107412D+01
      2   0.163565D+01 -0.194130D+01  0.281538D+01 -0.552617D+01 -0.489267D+01
      3   0.810869D+00 -0.255081D+00  0.113784D+02 -0.314047D+01  0.757798D+01
                16            17            18            19            20 
      1   0.453925D+01  0.472489D+01 -0.170873D+01 -0.599678D+00  0.788830D+00
      2  -0.148058D+02 -0.838089D+01 -0.448805D+00 -0.620633D+01  0.287547D+00
      3  -0.108634D+01  0.676604D+01  0.524869D+01 -0.875660D+01 -0.381133D+01
                21            22            23            24            25 
      1   0.803005D+00  0.488651D+00 -0.178198D+00 -0.507815D+00  0.611003D+00
      2   0.457332D+01 -0.713496D-02 -0.891995D+00  0.100950D+00  0.132879D+01
      3   0.175678D+00 -0.119542D+01  0.273126D+00  0.389365D+00  0.234391D+00
                26            27            28            29            30 
      1   0.146951D+00 -0.370304D+00 -0.792672D+00  0.151019D+00 -0.957391D+00
      2  -0.366429D+00 -0.412133D-01  0.130060D+01  0.361592D+00  0.243617D+01
      3   0.461489D+00 -0.384524D+00 -0.243836D+01 -0.256865D+01 -0.150391D+00
                31            32            33            34            35 
      1  -0.188953D+00  0.128752D+01 -0.247814D+01 -0.116263D+01  0.121750D+01
      2  -0.599235D+00  0.408968D+01  0.519505D+01  0.276854D+00  0.390038D+01
      3   0.523599D+00 -0.714663D+01 -0.488048D+01  0.836951D+00 -0.500864D+01
                36            37            38            39            40 
      1  -0.238158D+01  0.357160D+01 -0.299541D+01 -0.153865D+01 -0.155622D+00
      2   0.700526D+01 -0.123126D+02 -0.446291D+01  0.813226D+01 -0.594373D+01
      3  -0.432304D+01 -0.305705D+01 -0.106638D+02  0.923242D+00 -0.468844D+01
                41            42            43            44            45 
      1   0.195696D+01 -0.980757D+01 -0.189910D+01 -0.478491D+01 -0.278392D+01
      2   0.992994D+01  0.596609D+01  0.558450D+01  0.701756D+01  0.364285D+01
      3   0.104521D+02 -0.103477D+02  0.135926D+01 -0.938801D+01 -0.537224D+01
                46            47            48            49            50 
      1  -0.230459D+00 -0.256510D+00 -0.130441D+00 -0.216399D+01 -0.350867D+01
      2  -0.269148D+01 -0.146582D+01 -0.151180D+01 -0.152014D+01  0.518505D+00
      3  -0.324111D+01  0.621455D+01  0.108314D+01  0.160845D+02  0.168301D+01
                51            52            53            54            55 
      1   0.729177D+00 -0.860749D-01  0.969155D+01  0.246734D+01 -0.156634D+01
      2   0.677412D+00 -0.127299D+02  0.306768D+00  0.661619D+00 -0.208684D+01
      3  -0.149562D+01  0.737189D+00  0.108313D+01 -0.743432D-01 -0.486800D+01
                56            57            58            59            60 
      1   0.189642D+01  0.115871D+01  0.125977D+01 -0.559246D+01 -0.996287D+00
      2   0.251870D+01 -0.191078D+01  0.307871D+01 -0.697556D+01  0.453490D+01
      3   0.486157D+01 -0.151785D+01  0.644820D+01 -0.155632D+02  0.598800D+01
                61            62            63            64            65 
      1   0.527617D+00  0.213449D+01  0.321318D+00 -0.660136D+00 -0.153859D+01
      2  -0.234474D+01  0.310430D+01 -0.374915D+01  0.941465D+01  0.813699D+00
      3  -0.688868D+00  0.433339D+01 -0.374707D+01  0.592841D+01 -0.554083D+01
                66            67            68            69            70 
      1  -0.156402D+01 -0.126946D+01 -0.575792D+00 -0.270895D+00 -0.108418D+01
      2   0.662144D+01  0.160359D+01 -0.238481D+00  0.345802D+00  0.155914D+01
      3   0.257778D+00 -0.138777D+01 -0.204784D+01  0.130524D+01 -0.283022D-01
                71            72            73            74            75 
      1   0.967315D+00 -0.113040D+00  0.131658D+01  0.139581D+01  0.552107D+00
      2  -0.345361D+00  0.105346D+01 -0.177021D+01 -0.827331D+00 -0.226231D+01
      3   0.500420D+00  0.142256D+01  0.179270D+01  0.980420D+00 -0.119861D+00
                76            77            78            79            80 
      1   0.435280D+00  0.521637D+01  0.358083D+01 -0.182907D+00  0.592318D+01
      2  -0.137552D+01 -0.540568D+01 -0.788727D+01 -0.274071D+01 -0.460439D+01
      3   0.153033D+01  0.530708D+01  0.534013D+01 -0.597184D+00  0.513098D+01
                81            82            83            84            85 
      1   0.619952D+01 -0.523921D+00  0.263285D+00  0.196560D+01 -0.880671D+00
      2  -0.119192D+02  0.215379D+01  0.230262D+00 -0.888124D+00  0.386604D+01
      3   0.497953D+01  0.295039D+01 -0.363139D+00  0.119371D+01  0.469331D+01
                86            87            88            89            90 
      1   0.260272D+00 -0.217556D+01  0.663657D+01  0.316114D+01  0.145644D+00
      2   0.112203D+01  0.919872D+00 -0.118474D+02 -0.898470D-01 -0.419237D+00
      3  -0.654691D+01  0.798903D+00 -0.627716D+00 -0.953794D+00 -0.557589D+01
                91            92            93            94            95 
      1   0.713192D+00  0.784987D+00 -0.104985D+01  0.150767D+01 -0.123675D+00
      2  -0.332901D+00  0.236379D+01  0.892400D+00  0.165334D+01 -0.311577D+01
      3  -0.638545D+00 -0.112833D+02 -0.252165D+01  0.388762D+01 -0.159649D+01
                96            97            98            99           100 
      1  -0.225670D+01 -0.512640D+01  0.108297D+01 -0.122471D+01  0.239509D+00
      2   0.327412D+01 -0.784673D+01  0.842667D+01  0.500978D+01  0.187596D+00
      3   0.184325D+01 -0.614930D+00  0.290408D+01 -0.426703D+01 -0.115181D+01
               101           102           103           104           105 
      1  -0.952323D+00 -0.757888D+00 -0.112271D+01 -0.313956D+01  0.987423D+00
      2  -0.119269D+00  0.596516D+01 -0.475544D+01 -0.706045D-01  0.173850D+00
      3  -0.671532D+01 -0.104220D+00  0.111029D+02  0.682209D+00  0.145674D+01
               106           107           108           109           110 
      1  -0.179212D+01  0.109348D+02  0.289919D+01 -0.642287D+00 -0.590285D+00
      2   0.714946D+01  0.181034D+01  0.158714D+01 -0.110479D+01  0.238360D+01
      3   0.443883D+01  0.118410D+01  0.933541D-01  0.165590D+01 -0.114369D+02
               111           112           113           114           115 
      1   0.179863D+01 -0.168329D+01 -0.119989D-02 -0.192736D+01  0.686835D+01
      2   0.268254D+01 -0.118092D+01  0.354369D+01 -0.377628D+01 -0.432430D+01
      3  -0.234662D+01  0.551674D+01  0.181244D+00 -0.219486D+01 -0.367633D+00
               116           117           118           119           120 
      1   0.308500D+01  0.160723D+01 -0.151084D+00  0.145788D+01 -0.132262D+01
      2  -0.995315D+01 -0.331587D+01  0.391513D+01  0.173967D+01 -0.303427D+00
      3  -0.429332D+01  0.371472D+01 -0.212952D+01 -0.247254D+01 -0.228077D+01
               121           122           123           124           125 
      1   0.148549D+01  0.540643D+00 -0.221291D+01 -0.514641D+01  0.152986D+01
      2   0.176907D+01 -0.109004D+01 -0.116954D+01 -0.132994D+02 -0.998266D+00
      3   0.221017D+01  0.727862D+01  0.241082D+00 -0.372678D+01 -0.903874D+00
               126           127           128           129           130 
      1  -0.656964D+00  0.450528D+00 -0.652473D+00  0.198565D+01  0.218754D+00
      2  -0.374262D+01  0.152516D+01 -0.711524D+00  0.360440D+00 -0.697368D+00
      3   0.509113D+01 -0.897435D+01  0.352980D+01  0.142247D+00  0.648524D+01
               131           132           133           134           135 
      1  -0.632178D-01 -0.320102D+01 -0.274721D+00  0.169466D+01  0.821974D-02
      2   0.118284D+01 -0.857219D+00 -0.136239D+01  0.563955D+00 -0.361925D+00
      3  -0.510937D+01 -0.119539D+01 -0.379506D+00 -0.658702D+00 -0.753220D-01
               136           137           138           139           140 
      1  -0.230424D+00  0.463037D-01 -0.179736D+01 -0.203199D+00  0.563753D+00
      2   0.414187D+00  0.736108D+00  0.185816D+01  0.594604D+00  0.310638D+01
      3  -0.753392D+00 -0.255827D+01 -0.483415D+00 -0.127596D+01 -0.125810D+02
               141           142           143           144           145 
      1  -0.420957D+01  0.583836D+00  0.189339D+01 -0.688590D+00 -0.119242D+00
      2   0.362546D+01 -0.403065D+00  0.180446D+00  0.962274D+00  0.159082D+01
      3  -0.274101D+01 -0.493073D+00 -0.340952D+01 -0.692086D+00 -0.191501D+00
               146           147           148           149           150 
      1   0.464696D+00 -0.462603D+00  0.126277D+00  0.221807D-01 -0.350169D+00
      2  -0.968876D-01  0.638089D+01  0.163946D+01  0.373147D+00  0.737511D+00
      3  -0.525499D+01  0.185104D+00 -0.366659D+01 -0.899897D+00 -0.405478D+00
               151           152           153           154           155 
      1   0.232597D+00  0.489752D+00 -0.338618D-01  0.243997D+00 -0.687524D+00
      2  -0.228386D+01 -0.375363D-01  0.586286D+00  0.128044D+00 -0.136284D+00
      3  -0.126134D+01 -0.755183D+00 -0.159623D+00  0.137243D+01 -0.453710D+01
               156           157           158           159           160 
      1   0.214553D+01  0.294187D+00  0.297368D+00 -0.336382D+01 -0.892676D+00
      2   0.265406D+01  0.768098D+00 -0.152004D+01 -0.349691D+01 -0.643919D+00
      3  -0.196740D+00 -0.304199D+01  0.109053D+02  0.145772D+01 -0.100271D+01
               161           162           163           164           165 
      1   0.147682D+01 -0.402256D+00  0.202673D+00  0.254979D+00 -0.157947D+01
      2   0.463233D+00 -0.439044D+00 -0.181130D+01 -0.126688D+01 -0.159826D-01
      3   0.248143D+01  0.444533D+00  0.598546D+01  0.359505D+01  0.130923D+01
               166           167           168           169           170 
      1   0.285904D+00  0.842250D+00 -0.384480D+01  0.466398D+00  0.236546D+01
      2  -0.182647D+01 -0.227609D+01 -0.120503D+00 -0.200508D+01 -0.701941D+00
      3   0.663775D+01  0.768513D+01  0.254161D+01  0.250503D+01  0.242142D+01
               171 
      1  -0.653950D+00
      2  -0.796684D-03
      3   0.460044D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.347719D+02  0.234821D+01  0.143513D+00 -0.753804D+01 -0.536782D+01
      2   0.191926D+02 -0.343445D+01 -0.132544D+01  0.165168D+01  0.128308D+02
      3   0.155792D+02  0.108624D+01  0.118193D+01  0.588636D+01 -0.746300D+01
      4   0.569050D+01  0.545742D+01 -0.179086D+01  0.184224D+02 -0.212015D+02
      5  -0.539806D+01 -0.184869D+01  0.619914D+01 -0.976021D+01  0.110018D+02
      6  -0.177611D+01  0.270058D+00 -0.224102D+01  0.420868D+01 -0.631682D+01
                 6             7             8             9            10 
      1   0.529859D+00  0.160682D+01  0.234717D+01 -0.347008D+01  0.888864D+01
      2   0.164569D+01 -0.123124D+01 -0.167419D+01 -0.479977D+01 -0.242715D+01
      3  -0.217555D+01 -0.375580D+00 -0.672980D+00  0.826985D+01 -0.646149D+01
      4   0.115524D+02 -0.654810D+01  0.489141D+01 -0.598772D+01 -0.333489D+01
      5  -0.760523D+01  0.117376D+02 -0.645090D+01  0.914435D+01  0.510588D+01
      6   0.116618D+02 -0.144273D+01  0.737667D+01 -0.595454D+01  0.218963D+01
                11            12            13            14            15 
      1   0.114092D+01 -0.112982D+01  0.459860D+01 -0.543000D+00  0.602569D+01
      2   0.144381D+01 -0.745945D+00  0.100756D+01 -0.349042D+00 -0.941202D+01
      3  -0.258472D+01  0.187577D+01 -0.560615D+01  0.892041D+00  0.338633D+01
      4  -0.112054D+02  0.398892D+01 -0.216260D+02 -0.242063D+01 -0.161088D+02
      5   0.450247D+01 -0.136066D+02  0.117575D+02 -0.153809D+02 -0.116365D+02
      6   0.232536D+00 -0.128126D+01 -0.447652D+01 -0.495955D+01 -0.137705D+02
                16            17            18            19            20 
      1   0.981768D+01  0.687317D+01 -0.173878D+01  0.620416D+02 -0.890354D+01
      2  -0.849981D+01 -0.312489D+01  0.443750D+01 -0.323947D+02  0.356537D+01
      3  -0.131787D+01 -0.374828D+01 -0.269872D+01 -0.296469D+02  0.533817D+01
      4   0.116396D+02 -0.961289D+01 -0.181067D+02 -0.221130D+02  0.108054D+02
      5  -0.246435D+02 -0.167227D+02 -0.913367D+00  0.139262D+02 -0.309018D+01
      6  -0.105238D+02 -0.104954D+02 -0.917014D+00 -0.203551D+01  0.144118D+01
                21            22            23            24            25 
      1   0.387116D+01  0.408125D+00  0.342517D+01  0.335772D+00 -0.123909D+01
      2  -0.312779D+01 -0.164350D+01 -0.562194D+00 -0.183902D+00 -0.519191D-01
      3  -0.743377D+00  0.123537D+01 -0.286298D+01 -0.151869D+00  0.129101D+01
      4  -0.265855D+01  0.729360D+01 -0.353508D+01  0.178617D+00  0.111761D+01
      5   0.822700D+01  0.315214D+00  0.700880D+00 -0.547242D+00  0.633205D+01
      6  -0.178960D+01  0.130272D+01 -0.292296D+00  0.151783D+01 -0.137214D+01
                26            27            28            29            30 
      1   0.823270D+00  0.318705D+01  0.283836D+01  0.213395D+01  0.289818D+01
      2   0.155555D+00 -0.250408D+01 -0.177773D+01 -0.100800D+01 -0.164785D+01
      3  -0.978824D+00 -0.682967D+00 -0.106064D+01 -0.112595D+01 -0.125033D+01
      4  -0.426852D+00 -0.172399D+01  0.719024D+01  0.820981D+01  0.343619D+01
      5  -0.143544D+01  0.223853D+01  0.614206D+01  0.339359D+01  0.912952D+01
      6   0.988216D+00 -0.311488D+00  0.436311D+01  0.166487D+01  0.239248D+01
                31            32            33            34            35 
      1   0.223707D+01 -0.688585D+01 -0.552070D+01  0.185840D+01 -0.583628D+01
      2  -0.856740D+00  0.727317D+01  0.344688D+01 -0.214680D+01  0.161113D+01
      3  -0.138033D+01 -0.387320D+00  0.207382D+01  0.288401D+00  0.422514D+01
      4   0.108458D+02  0.176482D+02  0.108452D+02  0.508051D+01  0.111557D+02
      5   0.495411D+01  0.103019D+02  0.120624D+02  0.123534D+02  0.108929D+02
      6   0.394443D+01  0.123042D+02  0.117908D+02  0.516587D+01  0.115341D+02
                36            37            38            39            40 
      1  -0.787968D+01 -0.567746D+02 -0.156734D+02  0.505495D+01 -0.142166D+02
      2  -0.329693D+01  0.229563D+02  0.117006D+02  0.875102D+00  0.797557D+01
      3   0.111766D+02  0.338183D+02  0.397279D+01 -0.593005D+01  0.624105D+01
      4   0.116579D+02 -0.193770D+02  0.827271D+01 -0.297047D+01  0.105343D+02
      5   0.178596D+02  0.696654D+01 -0.556472D+00  0.110638D+02 -0.556980D+01
      6   0.129920D+02  0.114768D+01 -0.706299D+01  0.417241D+01 -0.514649D+01
                41            42            43            44            45 
      1   0.209061D+02 -0.201982D+01 -0.528010D+01 -0.304148D+01  0.106192D+02
      2  -0.131321D+02  0.146805D+02  0.817966D+01  0.121862D+02 -0.398056D+01
      3  -0.777407D+01 -0.126607D+02 -0.289955D+01 -0.914474D+01 -0.663865D+01
      4  -0.599282D+01  0.117624D+02 -0.116933D+02  0.807280D+01  0.181529D+02
      5   0.755119D+01  0.141496D+02  0.218487D+02  0.161773D+02 -0.403545D+01
      6   0.698713D+01 -0.439468D+01  0.912224D+01 -0.730949D+00 -0.950941D+01
                46            47            48            49            50 
      1  -0.172741D+02 -0.943050D+00 -0.138385D+01  0.332846D+01 -0.806099D+01
      2   0.495918D+01  0.786343D-01 -0.103001D+00 -0.439781D+01  0.117804D+02
      3   0.123149D+02  0.864415D+00  0.148686D+01  0.106934D+01 -0.371937D+01
      4   0.986155D+01  0.410062D+01 -0.311794D-03 -0.947626D+01 -0.339550D+01
      5  -0.686653D+01 -0.751423D+00  0.551818D-01 -0.471567D+01  0.719802D+00
      6  -0.336493D+01  0.608880D+00  0.696028D+00 -0.318986D+01  0.485322D+01
                51            52            53            54            55 
      1  -0.567999D+00 -0.784774D+01 -0.217950D+01 -0.930998D+01 -0.110878D+01
      2   0.597561D+01  0.673974D+00  0.362365D+01 -0.291269D+01  0.294466D+01
      3  -0.540761D+01  0.717376D+01 -0.144415D+01  0.122227D+02 -0.183588D+01
      4   0.339681D+00 -0.600120D+01  0.106388D+00  0.256749D+01  0.152133D+01
      5   0.112441D+01  0.400266D+01  0.201976D+01 -0.642085D+00  0.928031D+00
      6  -0.225812D+00 -0.277487D+00  0.609369D+01 -0.346279D+01 -0.270113D+01
                56            57            58            59            60 
      1   0.990369D+01 -0.505307D+01  0.101623D+02 -0.229254D+02  0.953217D+01
      2  -0.858548D+01  0.165090D+01 -0.660323D+01  0.260447D+02 -0.629777D+01
      3  -0.131821D+01  0.340218D+01 -0.355909D+01 -0.311937D+01 -0.323440D+01
      4  -0.234887D+01  0.111032D+01  0.330129D+01  0.219561D+02 -0.882746D+01
      5  -0.488754D+00 -0.195983D+01 -0.387927D+01 -0.627489D+01  0.634357D+01
      6   0.553840D+01 -0.427185D+01  0.161225D+01 -0.183640D+02  0.117782D+02
                61            62            63            64            65 
      1  -0.198732D+01  0.718082D+01 -0.908846D+01  0.828686D+02  0.989754D+01
      2   0.349746D+00 -0.415222D+01  0.318620D+01 -0.405285D+02 -0.271111D+01
      3   0.163758D+01 -0.302860D+01  0.590226D+01 -0.423401D+02 -0.718643D+01
      4   0.640156D+00 -0.585052D+01  0.337062D+01  0.273984D+02  0.150528D+02
      5   0.687179D+00  0.329160D+01 -0.438850D+01 -0.219577D+02 -0.411813D+01
      6  -0.195640D+01  0.100548D+02 -0.653542D+01 -0.373015D+01 -0.294155D+01
                66            67            68            69            70 
      1  -0.242092D+01  0.702374D+01  0.551557D+01  0.317493D+00  0.696813D+01
      2   0.416349D+01 -0.124674D+01 -0.897889D+00 -0.103620D+01 -0.135919D+01
      3  -0.174258D+01 -0.577701D+01 -0.461768D+01  0.718710D+00 -0.560893D+01
      4  -0.266234D+01  0.144039D+02  0.752300D+01 -0.217427D+01  0.234226D+01
      5   0.134241D+02 -0.198270D+01 -0.311997D+01  0.811876D+00  0.868357D+01
      6   0.325894D+01 -0.214671D+01 -0.210086D+01  0.236138D+01  0.224476D+01
                71            72            73            74            75 
      1   0.652045D+00  0.557668D+01  0.327269D+01 -0.976478D+00 -0.553332D+01
      2  -0.589782D+00 -0.407329D+01 -0.306410D+01 -0.860070D-01  0.200618D+00
      3  -0.622626D-01 -0.150339D+01 -0.208594D+00  0.106249D+01  0.533271D+01
      4   0.881010D+00  0.833221D+00 -0.460556D+00 -0.126872D+01  0.108498D+00
      5   0.233305D-01 -0.206090D+00 -0.197768D+01  0.148975D+01 -0.292634D+00
      6   0.147424D+01  0.579285D+00  0.150718D+01  0.183829D+01 -0.280733D+00
                76            77            78            79            80 
      1  -0.468682D+01 -0.651408D+01 -0.547542D+01 -0.494098D+01 -0.359421D+01
      2   0.338624D+01 -0.384143D+00 -0.741463D+01  0.342929D+01 -0.597972D+01
      3   0.130057D+01  0.689822D+01  0.128900D+02  0.151169D+01  0.957393D+01
      4   0.391911D+00 -0.100327D+02 -0.911489D+01  0.316216D+00 -0.902214D+01
      5   0.644268D+01 -0.734291D+01 -0.143360D+02  0.594456D+01 -0.708979D+01
      6   0.251603D+00  0.687576D+01  0.669129D+01 -0.322033D+00  0.662045D+01
                81            82            83            84            85 
      1  -0.134048D+02  0.124416D+01  0.165094D+02  0.493114D+01 -0.492883D+01
      2  -0.120525D+02 -0.290161D+01 -0.122413D+02 -0.126850D+01  0.121650D+02
      3   0.254573D+02  0.165745D+01 -0.426809D+01 -0.366263D+01 -0.723615D+01
      4  -0.897418D+01  0.933272D+01 -0.113041D+02 -0.674120D+00  0.280491D+01
      5  -0.200332D+02  0.388777D+01 -0.134436D+01 -0.110953D+01  0.311990D+01
      6   0.460319D+01  0.264328D+01 -0.287575D+01 -0.410213D+01  0.806413D+01
                86            87            88            89            90 
      1   0.203964D+01  0.401342D+01 -0.313358D+00  0.646867D+01 -0.137971D+02
      2  -0.480062D+01 -0.345199D+01  0.531598D+01 -0.879852D+01  0.214567D+01
      3   0.276099D+01 -0.561427D+00 -0.500262D+01  0.232985D+01  0.116514D+02
      4   0.139446D+02  0.272445D+01  0.297586D+01  0.359620D+00  0.299754D+01
      5   0.270731D+01  0.753458D+00  0.447327D+01  0.240742D+01 -0.140037D+01
      6  -0.553220D+01  0.450730D+01 -0.270198D+01  0.122490D+02  0.223258D+00
                91            92            93            94            95 
      1   0.659528D+01 -0.216967D+02 -0.303011D+01  0.217623D+02  0.116022D+02
      2  -0.586494D+01  0.149250D+02  0.134674D+01 -0.183835D+02 -0.129947D+02
      3  -0.730346D+00  0.677170D+01  0.168338D+01 -0.337878D+01  0.139245D+01
      4  -0.131078D+02 -0.552699D+01 -0.482293D+01  0.957650D+01 -0.220083D+01
      5  -0.635494D+01 -0.325728D+01 -0.113419D+01  0.633646D+00 -0.674726D+01
      6  -0.556443D+01 -0.124522D+01  0.273278D+01 -0.515341D+01 -0.108732D+02
                96            97            98            99           100 
      1   0.406338D+01  0.443792D+01 -0.432508D+00 -0.531320D+01 -0.927026D+01
      2  -0.630416D+01 -0.775122D+01 -0.828565D+01 -0.513656D+01  0.674674D+01
      3   0.224078D+01  0.331330D+01  0.871816D+01  0.104498D+02  0.252352D+01
      4  -0.601419D+01 -0.423447D+01 -0.105408D+02  0.131238D+02 -0.177113D+01
      5   0.699627D+01  0.116626D+02  0.135103D+02  0.994435D+01 -0.552489D+01
      6   0.274110D+01  0.574329D+01  0.127258D+02  0.347589D+01  0.123278D+01
               101           102           103           104           105 
      1  -0.167684D+01 -0.605728D+01  0.799259D+01 -0.212918D+02 -0.873880D+01
      2   0.146849D+01  0.325536D+01 -0.544802D+01  0.172313D+02  0.994987D+01
      3   0.208354D+00  0.280192D+01 -0.254457D+01  0.406055D+01 -0.121107D+01
      4   0.217835D+02  0.143570D+01 -0.185597D+02 -0.495919D+01 -0.448599D+01
      5   0.119673D+01  0.135726D+02 -0.134115D+02 -0.173632D+01 -0.256004D+00
      6   0.770917D+00  0.167281D+01 -0.346707D+01  0.385954D+01 -0.150430D+01
               106           107           108           109           110 
      1  -0.677467D+01 -0.985934D+01  0.135267D+02  0.503866D+00  0.222574D+02
      2   0.121337D+01  0.744708D+01 -0.161894D+02 -0.359534D+01 -0.142962D+02
      3   0.556131D+01  0.241225D+01  0.266269D+01  0.309148D+01 -0.796119D+01
      4  -0.143508D+02 -0.102116D+01  0.834367D+00  0.173500D+02  0.347585D+01
      5   0.331736D+02  0.233244D+01  0.478969D+01  0.112255D+00  0.177915D+01
      6   0.745255D+00  0.500889D+01 -0.422401D+01  0.119671D+01 -0.278059D+01
               111           112           113           114           115 
      1   0.606978D+01 -0.251702D+02  0.564661D+01  0.819735D+00 -0.923858D+01
      2  -0.905872D+00  0.222909D+02 -0.826039D+01 -0.113761D+01  0.111246D+02
      3  -0.516391D+01  0.287924D+01  0.261379D+01  0.317878D+00 -0.188607D+01
      4   0.362953D+01  0.443678D+01  0.943780D+01  0.989637D+01  0.685931D-01
      5   0.531161D+01 -0.560274D+01  0.820430D+01 -0.727895D+01  0.178914D+02
      6  -0.483254D+01  0.765155D+01 -0.658154D+01  0.392973D+01 -0.653292D+01
               116           117           118           119           120 
      1   0.595044D+01  0.221926D+01  0.885399D+01 -0.118286D+02 -0.623790D+00
      2  -0.931995D+01 -0.756938D+01 -0.660687D+01  0.102124D+02 -0.262762D+00
      3   0.336951D+01  0.535012D+01 -0.224712D+01  0.161615D+01  0.886552D+00
      4   0.100671D+02 -0.139585D+02 -0.107327D+02 -0.180326D+02 -0.454964D+01
      5  -0.143942D+02 -0.820383D+01  0.884253D+00 -0.336876D+01 -0.344093D+01
      6   0.115433D+02 -0.131619D+01 -0.252217D+01 -0.140005D+01  0.284145D+01
               121           122           123           124           125 
      1   0.107882D+01  0.795391D+01  0.604640D+01  0.285746D+01  0.359896D+01
      2  -0.819023D+01 -0.987571D+01 -0.732125D+01 -0.550776D+01 -0.104218D+02
      3   0.711141D+01  0.192179D+01  0.127485D+01  0.265030D+01  0.682285D+01
      4   0.117686D+02 -0.122477D+02 -0.191246D+01 -0.307385D+00 -0.416866D+01
      5  -0.647773D+00 -0.250802D+01 -0.957989D+00  0.134187D+01 -0.512035D+01
      6  -0.599317D+01 -0.109955D+02  0.165107D+01  0.183787D+01  0.115726D+02
               126           127           128           129           130 
      1  -0.150623D+02 -0.435723D+01  0.773119D+01  0.108433D+01  0.835110D+01
      2  -0.394370D+00  0.627912D+01 -0.106876D+02 -0.972339D+00 -0.110674D+02
      3   0.154567D+02 -0.192189D+01  0.295636D+01 -0.111989D+00  0.271627D+01
      4  -0.654512D+01 -0.823863D+01  0.770675D+01  0.111190D+01  0.759559D+01
      5  -0.612314D+01 -0.672815D+00  0.127647D+01  0.118494D+01  0.124486D+01
      6   0.500956D+01  0.865016D+00 -0.133783D+01 -0.243891D+01 -0.227016D+01
               131           132           133           134           135 
      1  -0.216272D+02 -0.349815D+01  0.144094D+01 -0.373142D+01 -0.759915D+00
      2   0.290244D+02  0.291901D+01 -0.205014D+01  0.464602D+01  0.133582D+01
      3  -0.739729D+01  0.579141D+00  0.609205D+00 -0.914607D+00 -0.575900D+00
      4  -0.823271D+01 -0.963533D+00  0.105493D+01 -0.122918D+01 -0.169128D+01
      5  -0.133647D+01 -0.127621D+01  0.124324D+01 -0.797054D+00 -0.790312D+00
      6   0.470017D+01  0.551355D+01 -0.102958D+01  0.212889D+01  0.128933D+01
               136           137           138           139           140 
      1   0.610689D+01  0.490003D+01  0.115561D+01 -0.123597D+00 -0.135025D+02
      2   0.243334D+01  0.459298D+01  0.141717D+00  0.100128D+02  0.330629D+02
      3  -0.854023D+01 -0.949301D+01 -0.129733D+01 -0.988919D+01 -0.195603D+02
      4   0.190128D+02  0.227977D+02  0.571672D+01  0.238327D+02  0.443724D+02
      5   0.518269D+01  0.569714D+01  0.533498D+01  0.589580D+01  0.100701D+02
      6   0.374539D+01  0.437791D+01  0.340135D+01  0.573083D+01  0.132576D+02
               141           142           143           144           145 
      1  -0.347137D+01  0.526717D+00 -0.271844D+01 -0.213869D+01  0.963448D+02
      2   0.510339D+01  0.186958D+01  0.685738D+01  0.265893D+01 -0.546655D+02
      3  -0.163202D+01 -0.239630D+01 -0.413894D+01 -0.520239D+00 -0.416792D+02
      4   0.102790D+02  0.674578D+01  0.119131D+02  0.420173D+01  0.905901D+01
      5   0.703572D+01  0.257609D+01  0.363195D+01  0.289404D+01  0.117865D+02
      6   0.949559D+01  0.240456D+01  0.566665D+01  0.386102D+01 -0.230457D+01
               146           147           148           149           150 
      1   0.630371D+01  0.756973D+01  0.462405D+01  0.902616D+01  0.184841D+01
      2  -0.309416D+01 -0.524466D+01 -0.206340D+01 -0.425705D+01 -0.153624D+01
      3  -0.320955D+01 -0.232507D+01 -0.256065D+01 -0.476910D+01 -0.312169D+00
      4   0.910583D+01  0.337504D+00  0.144097D+02  0.294734D+01  0.143076D+01
      5   0.392710D+00  0.113458D+02  0.351872D+01  0.162917D+01  0.127908D+01
      6   0.414181D+00  0.312245D+00  0.978534D+00 -0.173398D+00  0.148148D+01
               151           152           153           154           155 
      1   0.101544D+02  0.218342D+01  0.375482D+01  0.188905D+02 -0.119515D+02
      2  -0.593616D+01 -0.126138D+01 -0.261756D+01 -0.272920D+01 -0.193723D+01
      3  -0.421824D+01 -0.922037D+00 -0.113725D+01 -0.161613D+02  0.138887D+02
      4   0.397164D+01  0.150106D+01  0.846664D+00 -0.304261D+02  0.288797D+02
      5   0.423173D+01  0.560314D+00  0.211784D+01 -0.580794D+01  0.413984D+01
      6   0.130285D+00  0.742339D+00  0.419916D+00  0.208402D+01 -0.188665D+01
               156           157           158           159           160 
      1  -0.236965D+01 -0.776710D+01  0.156013D+01  0.621948D+00 -0.499852D+00
      2   0.810339D+00 -0.659852D+01  0.180920D+02  0.102774D+01 -0.140711D+01
      3   0.155931D+01  0.143656D+02 -0.196522D+02 -0.164968D+01  0.190696D+01
      4   0.409093D+01  0.317560D+02 -0.432221D+02 -0.745271D+01  0.544140D+01
      5   0.599799D+01  0.653745D+01 -0.785042D+01 -0.653087D+01  0.237425D+01
      6  -0.322552D+01 -0.408754D+01  0.586215D+01  0.626146D+01 -0.179685D+01
               161           162           163           164           165 
      1  -0.373441D+00 -0.542557D+00 -0.533276D+01 -0.820002D+01 -0.319358D+01
      2   0.308245D+01  0.112636D+01  0.626384D+01  0.945620D+01  0.216840D+01
      3  -0.270901D+01 -0.583800D+00 -0.931087D+00 -0.125617D+01  0.102518D+01
      4  -0.748662D+01 -0.319964D+01  0.410200D+01  0.695973D+01  0.159149D+01
      5  -0.248074D+01 -0.161718D+01  0.112563D+01  0.138467D+01  0.166081D+01
      6   0.298266D+01  0.202811D+01  0.302419D+01  0.437340D+01  0.298306D+01
               166           167           168           169           170 
      1  -0.777400D+01 -0.295711D+02 -0.914767D+01 -0.253827D+01 -0.859700D+01
      2   0.928528D+01  0.374023D+02  0.791841D+01  0.279363D+01  0.971299D+01
      3  -0.151128D+01 -0.783126D+01  0.122926D+01 -0.255360D+00 -0.111600D+01
      4   0.545778D+01  0.568355D+00 -0.467386D+00  0.174065D+01  0.410622D+00
      5   0.114976D+01 -0.589254D+00 -0.131354D+00  0.125567D+01  0.600730D+00
      6   0.367345D+01  0.139180D+02  0.947644D+01  0.151871D+01  0.538514D+01
               171 
      1  -0.368743D+01
      2   0.332738D+01
      3   0.360053D+00
      4   0.160093D+01
      5   0.852371D+00
      6   0.417778D+01

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.675629D+00      0.171728D+01      0.572822D+01
   x         -0.453322D+00     -0.115223D+01     -0.384342D+01
   y         -0.449613D+00     -0.114280D+01     -0.381198D+01
   z          0.220954D+00      0.561610D+00      0.187333D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.949338D+02      0.140677D+02      0.156525D+02
   aniso      0.504491D+02      0.747578D+01      0.831793D+01
   xx         0.121710D+03      0.180355D+02      0.200672D+02
   yx         0.123939D+01      0.183659D+00      0.204349D+00
   yy         0.977839D+02      0.144901D+02      0.161224D+02
   zx         0.142346D+01      0.210935D+00      0.234697D+00
   zy         0.658964D+01      0.976484D+00      0.108648D+01
   zz         0.653078D+02      0.967761D+01      0.107678D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.100352D+03      0.148706D+02      0.165457D+02
   aniso      0.501751D+02      0.743518D+01      0.827275D+01
   xx         0.127170D+03      0.188446D+02      0.209675D+02
   yx         0.956930D+00      0.141802D+00      0.157776D+00
   yy         0.102921D+03      0.152513D+02      0.169694D+02
   zx         0.148724D+01      0.220386D+00      0.245212D+00
   zy         0.642847D+01      0.952601D+00      0.105991D+01
   zz         0.709639D+02      0.105158D+02      0.117004D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     8         -4.26489402          1.77909395          1.12281617
     6         -2.27859880          0.31983221          2.22092033
     1         -5.33889901          2.38031343          2.46235911
     1         -3.05056875         -1.47594418          2.91585410
     6         -1.06817656          1.72764595          4.43270801
     6         -0.35986096         -0.26988605          0.19277802
     1          0.44991963          0.61016929          5.26663239
     1         -2.46434331          2.10973542          5.90833549
     1         -0.28050423          3.51819641          3.78126826
     6          0.02177638          1.35539963         -1.84092584
     6          1.87242550          0.83044597         -3.62921229
     6          3.36533722         -1.31826723         -3.40363381
     6          2.98882733         -2.95143712         -1.38079957
     6          1.13308299         -2.42844570          0.39972143
     1         -1.15574686          3.01408543         -2.02267171
     1          2.14509964          2.10310151         -5.20790339
     1          4.80293561         -1.72546622         -4.80049219
     1          4.12967336         -4.63962440         -1.19746686
     1          0.83268800         -3.71905054          1.96222412

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.675629D+00      0.171728D+01      0.572822D+01
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.675629D+00      0.171728D+01      0.572822D+01

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.949338D+02      0.140677D+02      0.156525D+02
   aniso      0.504491D+02      0.747578D+01      0.831793D+01
   xx         0.913450D+02      0.135359D+02      0.150608D+02
   yx        -0.173592D+02     -0.257237D+01     -0.286215D+01
   yy         0.907608D+02      0.134494D+02      0.149644D+02
   zx        -0.219993D+02     -0.325996D+01     -0.362719D+01
   zy        -0.421763D+01     -0.624989D+00     -0.695394D+00
   zz         0.102696D+03      0.152179D+02      0.169322D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.100352D+03      0.148706D+02      0.165457D+02
   aniso      0.501751D+02      0.743518D+01      0.827275D+01
   xx         0.971117D+02      0.143905D+02      0.160116D+02
   yx        -0.173780D+02     -0.257515D+01     -0.286524D+01
   yy         0.961195D+02      0.142434D+02      0.158480D+02
   zx        -0.218934D+02     -0.324427D+01     -0.360974D+01
   zy        -0.396800D+01     -0.587997D+00     -0.654235D+00
   zz         0.107824D+03      0.159778D+02      0.177777D+02

 ----------------------------------------------------------------------
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 390\\\@


 AN OPTIMIST IS A GUY
 THAT HAS NEVER HAD
 MUCH EXPERIENCE
   (CERTAIN MAXIMS OF ARCHY  -- DON MARQUIS)
 Job cpu time:       0 days  2 hours 51 minutes  3.9 seconds.
 Elapsed time:       0 days  0 hours 21 minutes 26.1 seconds.
 File lengths (MBytes):  RWF=    259 Int=      0 D2E=      0 Chk=      9 Scr=      2
 Normal termination of Gaussian 16 at Fri Aug 13 11:33:10 2021.
